N-[3-(3-chlorophenoxy)phenyl]-2-methyl-8-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine

C24H22ClN5OS — CID 139973869

IUPACN-[3-(3-chlorophenoxy)phenyl]-2-methyl-8-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
SMILESCc1ncc2c(n1)N(Cc1cscn1)CCC2Nc1cccc(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C24H22ClN5OS/c1-16-26-12-22-23(8-9-30(24(22)28-16)13-19-14-32-15-27-19)29-18-5-3-7-21(11-18)31-20-6-2-4-17(25)10-20/h2-7,10-12,14-15,23,29H,8-9,13H2,1H3
InChIKeyILTNTWGMISKDOQ-UHFFFAOYSA-N
MW463.99 g/mol
LogP6.25
Rot. Bonds6

About N-[3-(3-chlorophenoxy)phenyl]-2-methyl-8-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine

N-[3-(3-chlorophenoxy)phenyl]-2-methyl-8-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine (PubChem CID 139973869) has the molecular formula C24H22ClN5OS and a molecular weight of 463.99 g/mol. Its IUPAC name is N-[3-(3-chlorophenoxy)phenyl]-2-methyl-8-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[3-(3-chlorophenoxy)phenyl]-2-methyl-8-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
PubChem CID139973869
Molecular FormulaC24H22ClN5OS
Molecular Weight463.99 g/mol
Exact Mass463.12
IUPAC NameN-[3-(3-chlorophenoxy)phenyl]-2-methyl-8-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
SMILESCc1ncc2c(n1)N(Cc1cscn1)CCC2Nc1cccc(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C24H22ClN5OS/c1-16-26-12-22-23(8-9-30(24(22)28-16)13-19-14-32-15-27-19)29-18-5-3-7-21(11-18)31-20-6-2-4-17(25)10-20/h2-7,10-12,14-15,23,29H,8-9,13H2,1H3
InChIKeyILTNTWGMISKDOQ-UHFFFAOYSA-N
XLogP6.25
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.99
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-[2-[5-[3-(3-chlorophenoxy)anilino]-2-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl]ethyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 139973577
3-[4-[3-[5-[3-(3-chlorophenoxy)anilino]-2-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-8-yl]propyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 139973579
(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
2,9-dimethyl-N-[3-(pyridin-3-ylmethoxy)phenyl]-5,6,7,8-tetrahydropyrimido[4,5-b]azepin-5-amine
CID 139973865
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-[3-[4-[(3-chlorophenoxy)methyl]-1,3-oxazol-2-yl]phenyl]-2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]azepin-5-amine
CID 139973934
3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 59740767
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenoxy)phenyl]-2-methyl-8-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine?
The IUPAC name of N-[3-(3-chlorophenoxy)phenyl]-2-methyl-8-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine (CID 139973869) is N-[3-(3-chlorophenoxy)phenyl]-2-methyl-8-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine.
What is the SMILES notation for N-[3-(3-chlorophenoxy)phenyl]-2-methyl-8-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine?
The canonical SMILES for N-[3-(3-chlorophenoxy)phenyl]-2-methyl-8-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine is Cc1ncc2c(n1)N(Cc1cscn1)CCC2Nc1cccc(Oc2cccc(Cl)c2)c1.
What is the InChIKey of N-[3-(3-chlorophenoxy)phenyl]-2-methyl-8-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine?
The InChIKey is ILTNTWGMISKDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5OS/c1-16-26-12-22-23(8-9-30(24(22)28-16)13-19-14-32-15-27-19)29-18-5-3-7-21(11-18)31-20-6-2-4-17(25)10-20/h2-7,10-12,14-15,23,29H,8-9,13H2,1H3.
What are the key properties of N-[3-(3-chlorophenoxy)phenyl]-2-methyl-8-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine?
N-[3-(3-chlorophenoxy)phenyl]-2-methyl-8-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine has a molecular weight of 463.99 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenoxy)phenyl]-2-methyl-8-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 139973869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).