N-[4-(4-chlorophenoxy)phenyl]-2-methyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-5-amine

C20H19ClN4O — CID 139973712

IUPACN-[4-(4-chlorophenoxy)phenyl]-2-methyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-5-amine
SMILESCc1ncc2c(n1)NCCC2Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H19ClN4O/c1-13-23-12-18-19(10-11-22-20(18)24-13)25-15-4-8-17(9-5-15)26-16-6-2-14(21)3-7-16/h2-9,12,19,25H,10-11H2,1H3,(H,22,23,24)
InChIKeyULXIRIQDAXGLDY-UHFFFAOYSA-N
MW366.85 g/mol
LogP5.20
Rot. Bonds4

About N-[4-(4-chlorophenoxy)phenyl]-2-methyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-5-amine

N-[4-(4-chlorophenoxy)phenyl]-2-methyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-5-amine (PubChem CID 139973712) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)phenyl]-2-methyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)phenyl]-2-methyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-5-amine
PubChem CID139973712
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC NameN-[4-(4-chlorophenoxy)phenyl]-2-methyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-5-amine
SMILESCc1ncc2c(n1)NCCC2Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H19ClN4O/c1-13-23-12-18-19(10-11-22-20(18)24-13)25-15-4-8-17(9-5-15)26-16-6-2-14(21)3-7-16/h2-9,12,19,25H,10-11H2,1H3,(H,22,23,24)
InChIKeyULXIRIQDAXGLDY-UHFFFAOYSA-N
XLogP5.20
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.85
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-chlorophenoxy)phenyl]-2-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
CID 139973704
N-[4-(4-chlorophenoxy)phenyl]-2-ethyl-9-methyl-5,6,7,8-tetrahydropyrimido[4,5-b]azepin-5-amine
CID 139973870
N-[4-(4-chlorophenoxy)phenyl]-2,9-diethyl-5,6,7,8-tetrahydropyrimido[4,5-b]azepin-5-amine
CID 139973630
N-[4-(4-imidazol-1-ylphenoxy)phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
CID 139973571
2-methyl-N-(2-nitrophenyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-5-amine
CID 139973643
2-[5-[3-(3-chlorophenoxy)anilino]-2-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl]-1-piperazin-1-ylethanone;trihydrochloride
CID 139973855
3-(4-quinolin-8-yloxyanilino)pyrrolidin-2-one
CID 71968153
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
4-(4-chlorophenoxy)-N-(pyrrolidin-3-ylmethyl)aniline
CID 86273324
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
[4-[2-[5-[3-(3-chlorophenoxy)anilino]-2-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl]ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 139973819
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-2-methyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-5-amine?
The IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-2-methyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-5-amine (CID 139973712) is N-[4-(4-chlorophenoxy)phenyl]-2-methyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-5-amine.
What is the SMILES notation for N-[4-(4-chlorophenoxy)phenyl]-2-methyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-5-amine?
The canonical SMILES for N-[4-(4-chlorophenoxy)phenyl]-2-methyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-5-amine is Cc1ncc2c(n1)NCCC2Nc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-(4-chlorophenoxy)phenyl]-2-methyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-5-amine?
The InChIKey is ULXIRIQDAXGLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13-23-12-18-19(10-11-22-20(18)24-13)25-15-4-8-17(9-5-15)26-16-6-2-14(21)3-7-16/h2-9,12,19,25H,10-11H2,1H3,(H,22,23,24).
What are the key properties of N-[4-(4-chlorophenoxy)phenyl]-2-methyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-5-amine?
N-[4-(4-chlorophenoxy)phenyl]-2-methyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-5-amine has a molecular weight of 366.85 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)phenyl]-2-methyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 139973712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).