4-N-methyl-4-N-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine

C13H23N5 — CID 115145070

IUPAC4-N-methyl-4-N-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
SMILESCC(C)CCN(C)c1nc(N)nc2c1CNCC2
InChIInChI=1S/C13H23N5/c1-9(2)5-7-18(3)12-10-8-15-6-4-11(10)16-13(14)17-12/h9,15H,4-8H2,1-3H3,(H2,14,16,17)
InChIKeyQGAZGCBHHPQXND-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.19
Rot. Bonds4

About 4-N-methyl-4-N-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine

4-N-methyl-4-N-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine (PubChem CID 115145070) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-N-methyl-4-N-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
PubChem CID115145070
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-N-methyl-4-N-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
SMILESCC(C)CCN(C)c1nc(N)nc2c1CNCC2
InChIInChI=1S/C13H23N5/c1-9(2)5-7-18(3)12-10-8-15-6-4-11(10)16-13(14)17-12/h9,15H,4-8H2,1-3H3,(H2,14,16,17)
InChIKeyQGAZGCBHHPQXND-UHFFFAOYSA-N
XLogP1.19
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-N-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145301
N,2-dimethyl-N-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145261
4-N-tert-butyl-4-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 115145035
4-N,4-N-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 83863125
4-[methyl(2-methylpropyl)amino]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-carboxylic acid
CID 115145149
4-N-methyl-4-N-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 115145043
N-methyl-N-(2-methylpropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 81223373
4-N-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]-4-N-methyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 134079917
4-N-methyl-4-N-(3-methylbutyl)quinazoline-2,4-diamine
CID 80796340
4-N-[(5-ethyl-2-pyridinyl)methyl]-4-N-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine;dihydrochloride
CID 154886714
2-bromo-N-(2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 115145210
N-methyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 103142185

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine (CID 115145070) is 4-N-methyl-4-N-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine is CC(C)CCN(C)c1nc(N)nc2c1CNCC2.
What is the InChIKey of 4-N-methyl-4-N-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
The InChIKey is QGAZGCBHHPQXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-9(2)5-7-18(3)12-10-8-15-6-4-11(10)16-13(14)17-12/h9,15H,4-8H2,1-3H3,(H2,14,16,17).
What are the key properties of 4-N-methyl-4-N-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine?
4-N-methyl-4-N-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine has a molecular weight of 249.36 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(3-methylbutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 115145070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).