4-[(2S)-oxolan-2-yl]-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine

C18H18N4OS — CID 51589156

IUPAC4-[(2S)-oxolan-2-yl]-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESc1csc(CNc2ncc(-c3ccncc3)c([C@@H]3CCCO3)n2)c1
InChIInChI=1S/C18H18N4OS/c1-4-16(23-9-1)17-15(13-5-7-19-8-6-13)12-21-18(22-17)20-11-14-3-2-10-24-14/h2-3,5-8,10,12,16H,1,4,9,11H2,(H,20,21,22)/t16-/m0/s1
InChIKeyACMBUZZIEUVRPD-INIZCTEOSA-N
MW338.44 g/mol
LogP4.06
Rot. Bonds5

About 4-[(2S)-oxolan-2-yl]-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine

4-[(2S)-oxolan-2-yl]-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (PubChem CID 51589156) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 4-[(2S)-oxolan-2-yl]-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2S)-oxolan-2-yl]-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
PubChem CID51589156
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name4-[(2S)-oxolan-2-yl]-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
SMILESc1csc(CNc2ncc(-c3ccncc3)c([C@@H]3CCCO3)n2)c1
InChIInChI=1S/C18H18N4OS/c1-4-16(23-9-1)17-15(13-5-7-19-8-6-13)12-21-18(22-17)20-11-14-3-2-10-24-14/h2-3,5-8,10,12,16H,1,4,9,11H2,(H,20,21,22)/t16-/m0/s1
InChIKeyACMBUZZIEUVRPD-INIZCTEOSA-N
XLogP4.06
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(2S)-oxolan-2-yl]-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine with MolForge

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Related Compounds

1-[4-[4-[(2S)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 46960984
N-[(3,4-dimethoxyphenyl)methyl]-4-(oxolan-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine
CID 46960849
N-(2-methoxyethyl)-4-(oxolan-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine
CID 46953409
4-N-[(3R)-oxan-3-yl]-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 129338410
5-chloro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 79557672
N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 110117907
1-[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 16669837
1-[(2S)-oxolan-2-yl]-N-(pyridin-4-ylmethyl)-N-(thiophen-2-ylmethyl)methanamine
CID 95904603
N-(2-morpholin-4-ylethyl)-5-pyridin-4-yl-4-thiophen-2-ylpyrimidin-2-amine
CID 92571387
1-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 16669953
6-cyclopentyl-2-(thiophen-2-ylmethylamino)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 71794132
4-N-(oxan-3-yl)-6-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 129005899

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-oxolan-2-yl]-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-[(2S)-oxolan-2-yl]-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine (CID 51589156) is 4-[(2S)-oxolan-2-yl]-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[(2S)-oxolan-2-yl]-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[(2S)-oxolan-2-yl]-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is c1csc(CNc2ncc(-c3ccncc3)c([C@@H]3CCCO3)n2)c1.
What is the InChIKey of 4-[(2S)-oxolan-2-yl]-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is ACMBUZZIEUVRPD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-4-16(23-9-1)17-15(13-5-7-19-8-6-13)12-21-18(22-17)20-11-14-3-2-10-24-14/h2-3,5-8,10,12,16H,1,4,9,11H2,(H,20,21,22)/t16-/m0/s1.
What are the key properties of 4-[(2S)-oxolan-2-yl]-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine?
4-[(2S)-oxolan-2-yl]-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 338.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-oxolan-2-yl]-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 51589156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).