5,7-dimethyl-N-(oxolan-2-ylmethyl)-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide

C19H25N5O2S — CID 53168227

IUPAC5,7-dimethyl-N-(oxolan-2-ylmethyl)-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide
SMILESCc1cc(C)c2c(N3CCSCC3)nc(C(=O)NCC3CCCO3)nc2n1
InChIInChI=1S/C19H25N5O2S/c1-12-10-13(2)21-16-15(12)18(24-5-8-27-9-6-24)23-17(22-16)19(25)20-11-14-4-3-7-26-14/h10,14H,3-9,11H2,1-2H3,(H,20,25)
InChIKeySXTUBFHVAUCEND-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.10
Rot. Bonds4

About 5,7-dimethyl-N-(oxolan-2-ylmethyl)-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide

5,7-dimethyl-N-(oxolan-2-ylmethyl)-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide (PubChem CID 53168227) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 5,7-dimethyl-N-(oxolan-2-ylmethyl)-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-(oxolan-2-ylmethyl)-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide
PubChem CID53168227
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name5,7-dimethyl-N-(oxolan-2-ylmethyl)-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide
SMILESCc1cc(C)c2c(N3CCSCC3)nc(C(=O)NCC3CCCO3)nc2n1
InChIInChI=1S/C19H25N5O2S/c1-12-10-13(2)21-16-15(12)18(24-5-8-27-9-6-24)23-17(22-16)19(25)20-11-14-4-3-7-26-14/h10,14H,3-9,11H2,1-2H3,(H,20,25)
InChIKeySXTUBFHVAUCEND-UHFFFAOYSA-N
XLogP2.10
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,7-dimethyl-N-(oxolan-2-ylmethyl)-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide with MolForge

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Related Compounds

5,7-dimethyl-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168200
2-(azepan-1-yl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4-carboxamide
CID 95739732
6-methyl-2-(4-methylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324688
3-amino-4,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 716899
2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 110849464
1,3,7-trimethyl-2,4-dioxo-N-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 53007734
4-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66505270
2-methyl-N-(oxolan-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109365880
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide
CID 42670318
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 99780202
2,4,6-trimethyl-1-N,3-N-bis(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 3519038

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-(oxolan-2-ylmethyl)-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of 5,7-dimethyl-N-(oxolan-2-ylmethyl)-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide (CID 53168227) is 5,7-dimethyl-N-(oxolan-2-ylmethyl)-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-(oxolan-2-ylmethyl)-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-(oxolan-2-ylmethyl)-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide is Cc1cc(C)c2c(N3CCSCC3)nc(C(=O)NCC3CCCO3)nc2n1.
What is the InChIKey of 5,7-dimethyl-N-(oxolan-2-ylmethyl)-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is SXTUBFHVAUCEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-12-10-13(2)21-16-15(12)18(24-5-8-27-9-6-24)23-17(22-16)19(25)20-11-14-4-3-7-26-14/h10,14H,3-9,11H2,1-2H3,(H,20,25).
What are the key properties of 5,7-dimethyl-N-(oxolan-2-ylmethyl)-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide?
5,7-dimethyl-N-(oxolan-2-ylmethyl)-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-(oxolan-2-ylmethyl)-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 53168227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).