N-[2-(4-methoxyphenyl)sulfanylphenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine

C22H24N4OS — CID 139973773

IUPACN-[2-(4-methoxyphenyl)sulfanylphenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
SMILESCOc1ccc(Sc2ccccc2NC2CCN(C)c3nc(C)ncc32)cc1
InChIInChI=1S/C22H24N4OS/c1-15-23-14-18-19(12-13-26(2)22(18)24-15)25-20-6-4-5-7-21(20)28-17-10-8-16(27-3)9-11-17/h4-11,14,19,25H,12-13H2,1-3H3
InChIKeySTPMAWVPGWALHV-UHFFFAOYSA-N
MW392.53 g/mol
LogP4.94
Rot. Bonds5

About N-[2-(4-methoxyphenyl)sulfanylphenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine

N-[2-(4-methoxyphenyl)sulfanylphenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine (PubChem CID 139973773) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)sulfanylphenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)sulfanylphenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
PubChem CID139973773
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC NameN-[2-(4-methoxyphenyl)sulfanylphenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
SMILESCOc1ccc(Sc2ccccc2NC2CCN(C)c3nc(C)ncc32)cc1
InChIInChI=1S/C22H24N4OS/c1-15-23-14-18-19(12-13-26(2)22(18)24-15)25-20-6-4-5-7-21(20)28-17-10-8-16(27-3)9-11-17/h4-11,14,19,25H,12-13H2,1-3H3
InChIKeySTPMAWVPGWALHV-UHFFFAOYSA-N
XLogP4.94
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-methoxyphenyl)sulfanylphenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine with MolForge

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Related Compounds

N-[2-(4-chlorophenyl)sulfanylphenyl]-8-methyl-2-propyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
CID 139973797
N-benzyl-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
CID 139973674
N-[4-(4-imidazol-1-ylphenoxy)phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
CID 139973571
N-[4-[(3,5-diphenylpyrazol-1-yl)methyl]phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
CID 139973556
N-[4-(4-chlorophenoxy)phenyl]-2-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
CID 139973704
1-methoxy-4-(2-methylphenyl)sulfanylbenzene
CID 58715666
2,9-dimethyl-N-[3-(pyridin-3-ylmethoxy)phenyl]-5,6,7,8-tetrahydropyrimido[4,5-b]azepin-5-amine
CID 139973865
1-methoxy-4-(2-methylsulfanylphenyl)sulfanylbenzene
CID 132916371
4-[2-(4-methoxyphenyl)sulfanylphenyl]piperidine;oxalic acid
CID 68681781
N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylsulfanylaniline
CID 43683508
8-[2-(1-benzylpiperidin-4-yl)ethyl]-N-[3-(3-chlorophenoxy)phenyl]-2-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
CID 139973709
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(2-phenylsulfanylphenyl)propanamide
CID 94011837

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)sulfanylphenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)sulfanylphenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine (CID 139973773) is N-[2-(4-methoxyphenyl)sulfanylphenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)sulfanylphenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)sulfanylphenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine is COc1ccc(Sc2ccccc2NC2CCN(C)c3nc(C)ncc32)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)sulfanylphenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine?
The InChIKey is STPMAWVPGWALHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-15-23-14-18-19(12-13-26(2)22(18)24-15)25-20-6-4-5-7-21(20)28-17-10-8-16(27-3)9-11-17/h4-11,14,19,25H,12-13H2,1-3H3.
What are the key properties of N-[2-(4-methoxyphenyl)sulfanylphenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine?
N-[2-(4-methoxyphenyl)sulfanylphenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine has a molecular weight of 392.53 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)sulfanylphenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 139973773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).