N-benzyl-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine

C16H20N4 — CID 139973674

IUPACN-benzyl-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
SMILESCc1ncc2c(n1)N(C)CCC2NCc1ccccc1
InChIInChI=1S/C16H20N4/c1-12-17-11-14-15(8-9-20(2)16(14)19-12)18-10-13-6-4-3-5-7-13/h3-7,11,15,18H,8-10H2,1-2H3
InChIKeyJKAUSZKZPMLWHM-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.46
Rot. Bonds3

About N-benzyl-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine

N-benzyl-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine (PubChem CID 139973674) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-benzyl-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine.

Molecular Properties

Compound NameN-benzyl-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
PubChem CID139973674
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-benzyl-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
SMILESCc1ncc2c(n1)N(C)CCC2NCc1ccccc1
InChIInChI=1S/C16H20N4/c1-12-17-11-14-15(8-9-20(2)16(14)19-12)18-10-13-6-4-3-5-7-13/h3-7,11,15,18H,8-10H2,1-2H3
InChIKeyJKAUSZKZPMLWHM-UHFFFAOYSA-N
XLogP2.46
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[2-(4-methoxyphenyl)sulfanylphenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
CID 139973773
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
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-imidazol-1-ylphenoxy)phenyl]-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine
CID 139973571
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
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
(1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 750316
4-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzoic acid
CID 106252963
5-benzyl-2-methyl-4-piperidin-4-ylpyrimidine
CID 118759817
1-methyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 106253521
1-benzyl-3-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)urea
CID 110750894

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine?
The IUPAC name of N-benzyl-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine (CID 139973674) is N-benzyl-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine.
What is the SMILES notation for N-benzyl-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine?
The canonical SMILES for N-benzyl-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine is Cc1ncc2c(n1)N(C)CCC2NCc1ccccc1.
What is the InChIKey of N-benzyl-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine?
The InChIKey is JKAUSZKZPMLWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-12-17-11-14-15(8-9-20(2)16(14)19-12)18-10-13-6-4-3-5-7-13/h3-7,11,15,18H,8-10H2,1-2H3.
What are the key properties of N-benzyl-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine?
N-benzyl-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine has a molecular weight of 268.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 139973674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).