2-(dimethylamino)-4-[[methyl(pyrrolidin-3-yl)amino]methyl]-1H-pyrimidin-6-one;dihydrochloride

C12H23Cl2N5O — CID 137049928

IUPAC2-(dimethylamino)-4-[[methyl(pyrrolidin-3-yl)amino]methyl]-1H-pyrimidin-6-one;dihydrochloride
SMILESCN(C)c1nc(CN(C)C2CCNC2)cc(=O)[nH]1.Cl.Cl
InChIInChI=1S/C12H21N5O.2ClH/c1-16(2)12-14-9(6-11(18)15-12)8-17(3)10-4-5-13-7-10;;/h6,10,13H,4-5,7-8H2,1-3H3,(H,14,15,18);2*1H
InChIKeyHAWIFQZAHWNDLB-UHFFFAOYSA-N
MW324.26 g/mol
LogP0.47
Rot. Bonds4

About 2-(dimethylamino)-4-[[methyl(pyrrolidin-3-yl)amino]methyl]-1H-pyrimidin-6-one;dihydrochloride

2-(dimethylamino)-4-[[methyl(pyrrolidin-3-yl)amino]methyl]-1H-pyrimidin-6-one;dihydrochloride (PubChem CID 137049928) has the molecular formula C12H23Cl2N5O and a molecular weight of 324.26 g/mol. Its IUPAC name is 2-(dimethylamino)-4-[[methyl(pyrrolidin-3-yl)amino]methyl]-1H-pyrimidin-6-one;dihydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)-4-[[methyl(pyrrolidin-3-yl)amino]methyl]-1H-pyrimidin-6-one;dihydrochloride
PubChem CID137049928
Molecular FormulaC12H23Cl2N5O
Molecular Weight324.26 g/mol
Exact Mass323.13
IUPAC Name2-(dimethylamino)-4-[[methyl(pyrrolidin-3-yl)amino]methyl]-1H-pyrimidin-6-one;dihydrochloride
SMILESCN(C)c1nc(CN(C)C2CCNC2)cc(=O)[nH]1.Cl.Cl
InChIInChI=1S/C12H21N5O.2ClH/c1-16(2)12-14-9(6-11(18)15-12)8-17(3)10-4-5-13-7-10;;/h6,10,13H,4-5,7-8H2,1-3H3,(H,14,15,18);2*1H
InChIKeyHAWIFQZAHWNDLB-UHFFFAOYSA-N
XLogP0.47
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[[methyl-[(3S)-pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one
CID 136817925
4-[(3R)-3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]pyrrolidin-1-yl]benzonitrile
CID 137204393
2-(dimethylamino)-4-[(3S)-pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136848975
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-[[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one
CID 137242358
(3S)-N-methyl-N-(pyrazin-2-ylmethyl)pyrrolidin-3-amine
CID 71641762
N-methyl-N-(quinolin-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 119923035
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
4-[[[1-[3-chloro-5-(trifluoromethyl)benzoyl]pyrrolidin-3-yl]-methylamino]methyl]-2-(dimethylamino)-1H-pyrimidin-6-one
CID 167748238
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

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-[[methyl(pyrrolidin-3-yl)amino]methyl]-1H-pyrimidin-6-one;dihydrochloride?
The IUPAC name of 2-(dimethylamino)-4-[[methyl(pyrrolidin-3-yl)amino]methyl]-1H-pyrimidin-6-one;dihydrochloride (CID 137049928) is 2-(dimethylamino)-4-[[methyl(pyrrolidin-3-yl)amino]methyl]-1H-pyrimidin-6-one;dihydrochloride.
What is the SMILES notation for 2-(dimethylamino)-4-[[methyl(pyrrolidin-3-yl)amino]methyl]-1H-pyrimidin-6-one;dihydrochloride?
The canonical SMILES for 2-(dimethylamino)-4-[[methyl(pyrrolidin-3-yl)amino]methyl]-1H-pyrimidin-6-one;dihydrochloride is CN(C)c1nc(CN(C)C2CCNC2)cc(=O)[nH]1.Cl.Cl.
What is the InChIKey of 2-(dimethylamino)-4-[[methyl(pyrrolidin-3-yl)amino]methyl]-1H-pyrimidin-6-one;dihydrochloride?
The InChIKey is HAWIFQZAHWNDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O.2ClH/c1-16(2)12-14-9(6-11(18)15-12)8-17(3)10-4-5-13-7-10;;/h6,10,13H,4-5,7-8H2,1-3H3,(H,14,15,18);2*1H.
What are the key properties of 2-(dimethylamino)-4-[[methyl(pyrrolidin-3-yl)amino]methyl]-1H-pyrimidin-6-one;dihydrochloride?
2-(dimethylamino)-4-[[methyl(pyrrolidin-3-yl)amino]methyl]-1H-pyrimidin-6-one;dihydrochloride has a molecular weight of 324.26 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-[[methyl(pyrrolidin-3-yl)amino]methyl]-1H-pyrimidin-6-one;dihydrochloride is sourced from PubChem (CID 137049928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).