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

C10H17N5 — CID 83833878

IUPACN'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCN1CCc2c(ncnc2NCCN)C1
InChIInChI=1S/C10H17N5/c1-15-5-2-8-9(6-15)13-7-14-10(8)12-4-3-11/h7H,2-6,11H2,1H3,(H,12,13,14)
InChIKeyPWTDAEHNPFHTDO-UHFFFAOYSA-N
MW207.28 g/mol
LogP-0.16
Rot. Bonds3

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

N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 83833878) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
PubChem CID83833878
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC NameN'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
SMILESCN1CCc2c(ncnc2NCCN)C1
InChIInChI=1S/C10H17N5/c1-15-5-2-8-9(6-15)13-7-14-10(8)12-4-3-11/h7H,2-6,11H2,1H3,(H,12,13,14)
InChIKeyPWTDAEHNPFHTDO-UHFFFAOYSA-N
XLogP-0.16
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 83838471
N'-(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)ethane-1,2-diamine
CID 83833578
6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-amine
CID 82417454
cyclopropyl-[4-(2-morpholin-4-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 56876629
2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)butane-1,4-diamine
CID 106142476
1-[[7-(2-ethylbutyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]propan-2-ol
CID 143422478
N'-(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)ethane-1,2-diamine
CID 83830462
6-methyl-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 138014265
[4-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone
CID 56868340
N-cyclopropyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 62832253
N-hexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184554
4-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine
CID 140929166

Frequently Asked Questions

What is the IUPAC name of N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine (CID 83833878) is N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine is CN1CCc2c(ncnc2NCCN)C1.
What is the InChIKey of N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is PWTDAEHNPFHTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-15-5-2-8-9(6-15)13-7-14-10(8)12-4-3-11/h7H,2-6,11H2,1H3,(H,12,13,14).
What are the key properties of N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine?
N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 207.28 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 83833878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).