N-[4-(4-imidazol-1-ylphenoxy)phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine

C24H24N6O — CID 139973571

IUPACN-[4-(4-imidazol-1-ylphenoxy)phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
SMILESCc1ncc2c(n1)N(C)CCC2Nc1ccc(Oc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C24H24N6O/c1-17-26-15-22-23(11-13-29(2)24(22)27-17)28-18-3-7-20(8-4-18)31-21-9-5-19(6-10-21)30-14-12-25-16-30/h3-10,12,14-16,23,28H,11,13H2,1-2H3
InChIKeyJJPWZHWTKZUIFJ-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.76
Rot. Bonds5

About N-[4-(4-imidazol-1-ylphenoxy)phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine

N-[4-(4-imidazol-1-ylphenoxy)phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine (PubChem CID 139973571) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is N-[4-(4-imidazol-1-ylphenoxy)phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[4-(4-imidazol-1-ylphenoxy)phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
PubChem CID139973571
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC NameN-[4-(4-imidazol-1-ylphenoxy)phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
SMILESCc1ncc2c(n1)N(C)CCC2Nc1ccc(Oc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C24H24N6O/c1-17-26-15-22-23(11-13-29(2)24(22)27-17)28-18-3-7-20(8-4-18)31-21-9-5-19(6-10-21)30-14-12-25-16-30/h3-10,12,14-16,23,28H,11,13H2,1-2H3
InChIKeyJJPWZHWTKZUIFJ-UHFFFAOYSA-N
XLogP4.76
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-(4-imidazol-1-ylphenoxy)phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine with MolForge

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Related Compounds

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-ethyl-9-methyl-5,6,7,8-tetrahydropyrimido[4,5-b]azepin-5-amine
CID 139973870
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
N-benzyl-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
CID 139973674
N-(4-imidazol-1-ylphenyl)-1-(2-methoxyethyl)piperidin-4-amine
CID 154751921
1-(4-prop-2-enoxyphenyl)imidazole
CID 67611559
1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
CID 132544165
2-[(4-imidazol-1-ylphenoxy)methyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141386825
1-[4-(4-imidazol-1-ylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 154750878
4-(4-imidazol-1-ylphenoxy)pyridine-2-carboxylic acid
CID 67405266
4-imidazol-1-yl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 134383458

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-imidazol-1-ylphenoxy)phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine?
The IUPAC name of N-[4-(4-imidazol-1-ylphenoxy)phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine (CID 139973571) is N-[4-(4-imidazol-1-ylphenoxy)phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine.
What is the SMILES notation for N-[4-(4-imidazol-1-ylphenoxy)phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine?
The canonical SMILES for N-[4-(4-imidazol-1-ylphenoxy)phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine is Cc1ncc2c(n1)N(C)CCC2Nc1ccc(Oc2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of N-[4-(4-imidazol-1-ylphenoxy)phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine?
The InChIKey is JJPWZHWTKZUIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-17-26-15-22-23(11-13-29(2)24(22)27-17)28-18-3-7-20(8-4-18)31-21-9-5-19(6-10-21)30-14-12-25-16-30/h3-10,12,14-16,23,28H,11,13H2,1-2H3.
What are the key properties of N-[4-(4-imidazol-1-ylphenoxy)phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine?
N-[4-(4-imidazol-1-ylphenoxy)phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine has a molecular weight of 412.50 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-imidazol-1-ylphenoxy)phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 139973571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).