2-(dimethylamino)-4-[[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one

C18H28N6OS — CID 137242358

IUPAC2-(dimethylamino)-4-[[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CN2CC[C@@H](N(C)Cc3cc(=O)[nH]c(N(C)C)n3)C2)s1
InChIInChI=1S/C18H28N6OS/c1-12-16(26-13(2)19-12)11-24-7-6-15(10-24)23(5)9-14-8-17(25)21-18(20-14)22(3)4/h8,15H,6-7,9-11H2,1-5H3,(H,20,21,25)/t15-/m1/s1
InChIKeyYZXDDGCBPWDZSU-OAHLLOKOSA-N
MW376.53 g/mol
LogP1.62
Rot. Bonds6

About 2-(dimethylamino)-4-[[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one

2-(dimethylamino)-4-[[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one (PubChem CID 137242358) has the molecular formula C18H28N6OS and a molecular weight of 376.53 g/mol. Its IUPAC name is 2-(dimethylamino)-4-[[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-[[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one
PubChem CID137242358
Molecular FormulaC18H28N6OS
Molecular Weight376.53 g/mol
Exact Mass376.20
IUPAC Name2-(dimethylamino)-4-[[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CN2CC[C@@H](N(C)Cc3cc(=O)[nH]c(N(C)C)n3)C2)s1
InChIInChI=1S/C18H28N6OS/c1-12-16(26-13(2)19-12)11-24-7-6-15(10-24)23(5)9-14-8-17(25)21-18(20-14)22(3)4/h8,15H,6-7,9-11H2,1-5H3,(H,20,21,25)/t15-/m1/s1
InChIKeyYZXDDGCBPWDZSU-OAHLLOKOSA-N
XLogP1.62
TPSA68.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(dimethylamino)-4-[[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-[[[(3R)-1-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyrrolidin-3-yl]-methylamino]methyl]-2-(dimethylamino)-1H-pyrimidin-6-one
CID 137198665
4-[(3R)-3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]pyrrolidin-1-yl]benzonitrile
CID 137204393
2-(dimethylamino)-4-[[[(3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one
CID 137204460
2-(dimethylamino)-4-[[methyl-[(3S)-1-(2-methylpyridine-3-carbonyl)pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one
CID 137198720
2-(dimethylamino)-4-[[methyl(pyrrolidin-3-yl)amino]methyl]-1H-pyrimidin-6-one;dihydrochloride
CID 137049928
3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxamide
CID 167952236
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidin-3-amine
CID 75373786
(3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidin-3-amine
CID 97067026
2-(dimethylamino)-4-[[[(3R)-1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one
CID 137242328
2-(dimethylamino)-4-[[methyl-[1-(4-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one
CID 137218308
2-(dimethylamino)-4-[[methyl-[(3S)-1-[2-(6-methyl-3-pyridinyl)acetyl]pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one
CID 137204419
2-(dimethylamino)-4-[[methyl-[1-[(2R)-oxolane-2-carbonyl]pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one
CID 137218267

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-[[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(dimethylamino)-4-[[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one (CID 137242358) is 2-(dimethylamino)-4-[[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dimethylamino)-4-[[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dimethylamino)-4-[[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one is Cc1nc(C)c(CN2CC[C@@H](N(C)Cc3cc(=O)[nH]c(N(C)C)n3)C2)s1.
What is the InChIKey of 2-(dimethylamino)-4-[[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one?
The InChIKey is YZXDDGCBPWDZSU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N6OS/c1-12-16(26-13(2)19-12)11-24-7-6-15(10-24)23(5)9-14-8-17(25)21-18(20-14)22(3)4/h8,15H,6-7,9-11H2,1-5H3,(H,20,21,25)/t15-/m1/s1.
What are the key properties of 2-(dimethylamino)-4-[[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one?
2-(dimethylamino)-4-[[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one has a molecular weight of 376.53 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-[[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137242358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).