N'-(6-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethane-1,2-diamine

C15H19N5 — CID 106821023

IUPACN'-(6-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethane-1,2-diamine
SMILESNCCNc1ncc2c(n1)CCN(c1ccccc1)C2
InChIInChI=1S/C15H19N5/c16-7-8-17-15-18-10-12-11-20(9-6-14(12)19-15)13-4-2-1-3-5-13/h1-5,10H,6-9,11,16H2,(H,17,18,19)
InChIKeyKVDMGQXDHMLBCL-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.41
Rot. Bonds4

About N'-(6-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethane-1,2-diamine

N'-(6-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 106821023) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is N'-(6-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethane-1,2-diamine
PubChem CID106821023
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC NameN'-(6-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethane-1,2-diamine
SMILESNCCNc1ncc2c(n1)CCN(c1ccccc1)C2
InChIInChI=1S/C15H19N5/c16-7-8-17-15-18-10-12-11-20(9-6-14(12)19-15)13-4-2-1-3-5-13/h1-5,10H,6-9,11,16H2,(H,17,18,19)
InChIKeyKVDMGQXDHMLBCL-UHFFFAOYSA-N
XLogP1.41
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)ethane-1,2-diamine
CID 83830462
(6-phenyl-7,8-dihydro-5H-2,6-naphthyridin-3-yl)methanamine
CID 156818619
6-phenyl-7,8-dihydro-5H-1,6-naphthyridine-2,3-diamine
CID 171842660
N-(furan-2-ylmethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 53215343
N'-quinazolin-2-ylethane-1,2-diamine
CID 114788771
3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-cyclopentylbenzamide
CID 71738986
7-phenyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine;hydrochloride
CID 173071265
2-phenyl-3,4-dihydro-1H-isoquinoline
CID 11321753
ethyl 3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoate
CID 86695814
tert-butyl N-[2-[(6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)amino]ethyl]carbamate
CID 103278721
N-[2-(1H-imidazol-5-yl)ethyl]-5-phenyl-6,7-dihydropyrrolo[3,2-d]pyrimidin-2-amine
CID 50983350
6-[(3,4-dimethylphenyl)methyl]-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960619

Frequently Asked Questions

What is the IUPAC name of N'-(6-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(6-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethane-1,2-diamine (CID 106821023) is N'-(6-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(6-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(6-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethane-1,2-diamine is NCCNc1ncc2c(n1)CCN(c1ccccc1)C2.
What is the InChIKey of N'-(6-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is KVDMGQXDHMLBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c16-7-8-17-15-18-10-12-11-20(9-6-14(12)19-15)13-4-2-1-3-5-13/h1-5,10H,6-9,11,16H2,(H,17,18,19).
What are the key properties of N'-(6-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethane-1,2-diamine?
N'-(6-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 269.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 106821023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).