2-(3-methylbutyl)-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine

C17H32N4 — CID 25130220

IUPAC2-(3-methylbutyl)-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCC(C)CCc1nc(NCC(C)C)cc(NCC(C)C)n1
InChIInChI=1S/C17H32N4/c1-12(2)7-8-15-20-16(18-10-13(3)4)9-17(21-15)19-11-14(5)6/h9,12-14H,7-8,10-11H2,1-6H3,(H2,18,19,20,21)
InChIKeyNOHMSFGYKZXEFJ-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.20
Rot. Bonds9

About 2-(3-methylbutyl)-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine

2-(3-methylbutyl)-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine (PubChem CID 25130220) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-(3-methylbutyl)-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(3-methylbutyl)-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine
PubChem CID25130220
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name2-(3-methylbutyl)-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCC(C)CCc1nc(NCC(C)C)cc(NCC(C)C)n1
InChIInChI=1S/C17H32N4/c1-12(2)7-8-15-20-16(18-10-13(3)4)9-17(21-15)19-11-14(5)6/h9,12-14H,7-8,10-11H2,1-6H3,(H2,18,19,20,21)
InChIKeyNOHMSFGYKZXEFJ-UHFFFAOYSA-N
XLogP4.20
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-(3-methylbutyl)-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine (CID 25130220) is 2-(3-methylbutyl)-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(3-methylbutyl)-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-(3-methylbutyl)-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine is CC(C)CCc1nc(NCC(C)C)cc(NCC(C)C)n1.
What is the InChIKey of 2-(3-methylbutyl)-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine?
The InChIKey is NOHMSFGYKZXEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-12(2)7-8-15-20-16(18-10-13(3)4)9-17(21-15)19-11-14(5)6/h9,12-14H,7-8,10-11H2,1-6H3,(H2,18,19,20,21).
What are the key properties of 2-(3-methylbutyl)-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine?
2-(3-methylbutyl)-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine has a molecular weight of 292.47 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-4-N,6-N-bis(2-methylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 25130220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).