N,2-dimethyl-6-[(3S)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine

C17H24N4OS — CID 126432434

IUPACN,2-dimethyl-6-[(3S)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1nc([C@@H]2CCOC2)cc(N(C)Cc2csc(C(C)C)n2)n1
InChIInChI=1S/C17H24N4OS/c1-11(2)17-20-14(10-23-17)8-21(4)16-7-15(18-12(3)19-16)13-5-6-22-9-13/h7,10-11,13H,5-6,8-9H2,1-4H3/t13-/m1/s1
InChIKeyPGUDCBLXYIAIOS-CYBMUJFWSA-N
MW332.47 g/mol
LogP3.51
Rot. Bonds5

About N,2-dimethyl-6-[(3S)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine

N,2-dimethyl-6-[(3S)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 126432434) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is N,2-dimethyl-6-[(3S)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-[(3S)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID126432434
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC NameN,2-dimethyl-6-[(3S)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1nc([C@@H]2CCOC2)cc(N(C)Cc2csc(C(C)C)n2)n1
InChIInChI=1S/C17H24N4OS/c1-11(2)17-20-14(10-23-17)8-21(4)16-7-15(18-12(3)19-16)13-5-6-22-9-13/h7,10-11,13H,5-6,8-9H2,1-4H3/t13-/m1/s1
InChIKeyPGUDCBLXYIAIOS-CYBMUJFWSA-N
XLogP3.51
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,2-dimethyl-6-(oxolan-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 119063368
2-(methoxymethyl)-N-methyl-6-[(3S)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 126448408
3-[2-methyl-6-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91769835
N,N,N'-trimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 119064787
2-[[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-(1,3-thiazol-2-ylmethyl)amino]ethanol
CID 126452469
2-[(1-methylimidazol-2-yl)methyl-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]amino]ethanol
CID 118787676
N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125167730
N'-benzyl-N,N-dimethyl-N'-[2-methyl-6-(oxolan-3-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 119074155
N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 126762296
2-[[4-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126425143
N-[(4-fluorophenyl)methyl]-2-methyl-6-[(3S)-oxolan-3-yl]-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 126439203
N-[(4-fluorophenyl)methyl]-2-methyl-6-(oxolan-3-yl)-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 119067183

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-[(3S)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-6-[(3S)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine (CID 126432434) is N,2-dimethyl-6-[(3S)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-6-[(3S)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-6-[(3S)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine is Cc1nc([C@@H]2CCOC2)cc(N(C)Cc2csc(C(C)C)n2)n1.
What is the InChIKey of N,2-dimethyl-6-[(3S)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is PGUDCBLXYIAIOS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-11(2)17-20-14(10-23-17)8-21(4)16-7-15(18-12(3)19-16)13-5-6-22-9-13/h7,10-11,13H,5-6,8-9H2,1-4H3/t13-/m1/s1.
What are the key properties of N,2-dimethyl-6-[(3S)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
N,2-dimethyl-6-[(3S)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 332.47 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-[(3S)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 126432434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).