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

C11H19N5 — CID 83838471

IUPACN'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
SMILESCN1CCc2c(ncnc2NCCCN)C1
InChIInChI=1S/C11H19N5/c1-16-6-3-9-10(7-16)14-8-15-11(9)13-5-2-4-12/h8H,2-7,12H2,1H3,(H,13,14,15)
InChIKeyULVRRQVGVHKCBO-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.23
Rot. Bonds4

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

N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine (PubChem CID 83838471) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
PubChem CID83838471
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC NameN'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
SMILESCN1CCc2c(ncnc2NCCCN)C1
InChIInChI=1S/C11H19N5/c1-16-6-3-9-10(7-16)14-8-15-11(9)13-5-2-4-12/h8H,2-7,12H2,1H3,(H,13,14,15)
InChIKeyULVRRQVGVHKCBO-UHFFFAOYSA-N
XLogP0.23
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 83833878
N'-(9-methylpurin-6-yl)propane-1,3-diamine
CID 83833396
N-hexyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184554
N'-(1-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,3-diamine
CID 83833748
2,2-dimethyl-N-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pentane-1,5-diamine
CID 106143012
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propan-1-ol
CID 62833155
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)butan-1-ol
CID 106842608
N-cyclopropyl-N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 62832253
N-(5-methoxypentyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 103827520
N-(5-chloro-4-methylpentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 106154550
2-methyl-5-(5,6,7,8-tetrahydroquinazolin-4-ylamino)pentan-1-ol
CID 103858517
cyclopropyl-[4-(2-morpholin-4-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 56876629

Frequently Asked Questions

What is the IUPAC name of N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine (CID 83838471) is N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine is CN1CCc2c(ncnc2NCCCN)C1.
What is the InChIKey of N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is ULVRRQVGVHKCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-16-6-3-9-10(7-16)14-8-15-11(9)13-5-2-4-12/h8H,2-7,12H2,1H3,(H,13,14,15).
What are the key properties of N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine?
N'-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 221.31 g/mol, XLogP of 0.23, 4 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)propane-1,3-diamine is sourced from PubChem (CID 83838471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).