N-[4-(4-chlorophenoxy)phenyl]-2-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine

C23H25ClN4O — CID 139973704

IUPACN-[4-(4-chlorophenoxy)phenyl]-2-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
SMILESCc1ncc2c(n1)N(C(C)C)CCC2Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H25ClN4O/c1-15(2)28-13-12-22(21-14-25-16(3)26-23(21)28)27-18-6-10-20(11-7-18)29-19-8-4-17(24)5-9-19/h4-11,14-15,22,27H,12-13H2,1-3H3
InChIKeyLTGURFFCNODPAA-UHFFFAOYSA-N
MW408.93 g/mol
LogP6.00
Rot. Bonds5

About N-[4-(4-chlorophenoxy)phenyl]-2-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine

N-[4-(4-chlorophenoxy)phenyl]-2-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine (PubChem CID 139973704) has the molecular formula C23H25ClN4O and a molecular weight of 408.93 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)phenyl]-2-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)phenyl]-2-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
PubChem CID139973704
Molecular FormulaC23H25ClN4O
Molecular Weight408.93 g/mol
Exact Mass408.17
IUPAC NameN-[4-(4-chlorophenoxy)phenyl]-2-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
SMILESCc1ncc2c(n1)N(C(C)C)CCC2Nc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H25ClN4O/c1-15(2)28-13-12-22(21-14-25-16(3)26-23(21)28)27-18-6-10-20(11-7-18)29-19-8-4-17(24)5-9-19/h4-11,14-15,22,27H,12-13H2,1-3H3
InChIKeyLTGURFFCNODPAA-UHFFFAOYSA-N
XLogP6.00
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.93
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-chlorophenoxy)phenyl]-2-methyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-5-amine
CID 139973712
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-(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
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
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
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
(E)-1-[4-[2-[5-[3-(3-chlorophenoxy)anilino]-2-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl]ethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 139973656
[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-[2-(4-methoxyphenyl)sulfanylphenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
CID 139973773
2,9-dimethyl-N-[3-(pyridin-3-ylmethoxy)phenyl]-5,6,7,8-tetrahydropyrimido[4,5-b]azepin-5-amine
CID 139973865
[6-chloro-4-(4-chloroanilino)-3,4-dihydro-2H-quinolin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 12044872

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-2-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine?
The IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-2-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine (CID 139973704) is N-[4-(4-chlorophenoxy)phenyl]-2-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine.
What is the SMILES notation for N-[4-(4-chlorophenoxy)phenyl]-2-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine?
The canonical SMILES for N-[4-(4-chlorophenoxy)phenyl]-2-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine is Cc1ncc2c(n1)N(C(C)C)CCC2Nc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-(4-chlorophenoxy)phenyl]-2-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine?
The InChIKey is LTGURFFCNODPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O/c1-15(2)28-13-12-22(21-14-25-16(3)26-23(21)28)27-18-6-10-20(11-7-18)29-19-8-4-17(24)5-9-19/h4-11,14-15,22,27H,12-13H2,1-3H3.
What are the key properties of N-[4-(4-chlorophenoxy)phenyl]-2-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine?
N-[4-(4-chlorophenoxy)phenyl]-2-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine has a molecular weight of 408.93 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)phenyl]-2-methyl-8-propan-2-yl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 139973704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).