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

C19H36N4 — CID 25130899

IUPAC2-N,4-N-dimethyl-6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)CCc1cc(N(C)CC(C)C)nc(N(C)CC(C)C)n1
InChIInChI=1S/C19H36N4/c1-14(2)9-10-17-11-18(22(7)12-15(3)4)21-19(20-17)23(8)13-16(5)6/h11,14-16H,9-10,12-13H2,1-8H3
InChIKeyOAQJUBMNHCURMR-UHFFFAOYSA-N
MW320.53 g/mol
LogP4.25
Rot. Bonds9

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

2-N,4-N-dimethyl-6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 25130899) has the molecular formula C19H36N4 and a molecular weight of 320.53 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID25130899
Molecular FormulaC19H36N4
Molecular Weight320.53 g/mol
Exact Mass320.29
IUPAC Name2-N,4-N-dimethyl-6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)CCc1cc(N(C)CC(C)C)nc(N(C)CC(C)C)n1
InChIInChI=1S/C19H36N4/c1-14(2)9-10-17-11-18(22(7)12-15(3)4)21-19(20-17)23(8)13-16(5)6/h11,14-16H,9-10,12-13H2,1-8H3
InChIKeyOAQJUBMNHCURMR-UHFFFAOYSA-N
XLogP4.25
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.53
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine (CID 25130899) is 2-N,4-N-dimethyl-6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine is CC(C)CCc1cc(N(C)CC(C)C)nc(N(C)CC(C)C)n1.
What is the InChIKey of 2-N,4-N-dimethyl-6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is OAQJUBMNHCURMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4/c1-14(2)9-10-17-11-18(22(7)12-15(3)4)21-19(20-17)23(8)13-16(5)6/h11,14-16H,9-10,12-13H2,1-8H3.
What are the key properties of 2-N,4-N-dimethyl-6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine?
2-N,4-N-dimethyl-6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 320.53 g/mol, XLogP of 4.25, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 25130899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).