N-[(4-methoxyphenyl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-4-amine

C16H16N4OS — CID 56969051

IUPACN-[(4-methoxyphenyl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2nc(SC)nc3ncccc23)cc1
InChIInChI=1S/C16H16N4OS/c1-21-12-7-5-11(6-8-12)10-18-15-13-4-3-9-17-14(13)19-16(20-15)22-2/h3-9H,10H2,1-2H3,(H,17,18,19,20)
InChIKeyZTJKHSCUVNECPI-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.37
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-4-amine

N-[(4-methoxyphenyl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 56969051) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID56969051
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CNc2nc(SC)nc3ncccc23)cc1
InChIInChI=1S/C16H16N4OS/c1-21-12-7-5-11(6-8-12)10-18-15-13-4-3-9-17-14(13)19-16(20-15)22-2/h3-9H,10H2,1-2H3,(H,17,18,19,20)
InChIKeyZTJKHSCUVNECPI-UHFFFAOYSA-N
XLogP3.37
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 62735098
2-chloro-N-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 87753205
2-[(2-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 4548366
CID 56969500
CID 56969500
2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 28527658
2-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]sulfanylacetonitrile
CID 6616450
N-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-9-(pyridin-3-ylmethyl)-7,8-dihydropurin-6-amine
CID 154001905
2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 69221588
4-methoxy-N-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)methyl]aniline
CID 68516140
2-chloro-N-[(4-methoxyphenyl)methyl]pteridin-4-amine
CID 82459612
N-[(4-methoxyphenyl)methyl]-2-(2-methylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetamide
CID 46290325
4-benzylsulfanyl-6-[(4-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidine-5-carboxamide
CID 15979457

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-4-amine (CID 56969051) is N-[(4-methoxyphenyl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-4-amine is COc1ccc(CNc2nc(SC)nc3ncccc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is ZTJKHSCUVNECPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-21-12-7-5-11(6-8-12)10-18-15-13-4-3-9-17-14(13)19-16(20-15)22-2/h3-9H,10H2,1-2H3,(H,17,18,19,20).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-4-amine?
N-[(4-methoxyphenyl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 312.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 56969051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).