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

C18H34N4 — CID 25131214

IUPAC2-N-methyl-6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)CCc1cc(NCC(C)C)nc(N(C)CC(C)C)n1
InChIInChI=1S/C18H34N4/c1-13(2)8-9-16-10-17(19-11-14(3)4)21-18(20-16)22(7)12-15(5)6/h10,13-15H,8-9,11-12H2,1-7H3,(H,19,20,21)
InChIKeyNSKAIYJKIKEZIG-UHFFFAOYSA-N
MW306.50 g/mol
LogP4.23
Rot. Bonds9

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

2-N-methyl-6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 25131214) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is 2-N-methyl-6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID25131214
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC Name2-N-methyl-6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)CCc1cc(NCC(C)C)nc(N(C)CC(C)C)n1
InChIInChI=1S/C18H34N4/c1-13(2)8-9-16-10-17(19-11-14(3)4)21-18(20-16)22(7)12-15(5)6/h10,13-15H,8-9,11-12H2,1-7H3,(H,19,20,21)
InChIKeyNSKAIYJKIKEZIG-UHFFFAOYSA-N
XLogP4.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine (CID 25131214) is 2-N-methyl-6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine is CC(C)CCc1cc(NCC(C)C)nc(N(C)CC(C)C)n1.
What is the InChIKey of 2-N-methyl-6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is NSKAIYJKIKEZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4/c1-13(2)8-9-16-10-17(19-11-14(3)4)21-18(20-16)22(7)12-15(5)6/h10,13-15H,8-9,11-12H2,1-7H3,(H,19,20,21).
What are the key properties of 2-N-methyl-6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine?
2-N-methyl-6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 306.50 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-(3-methylbutyl)-2-N,4-N-bis(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 25131214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).