6-methyl-2-N,4-N-bis(4-methylpentan-2-yl)pyrimidine-2,4-diamine

C17H32N4 — CID 5276751

IUPAC6-methyl-2-N,4-N-bis(4-methylpentan-2-yl)pyrimidine-2,4-diamine
SMILESCc1cc(NC(C)CC(C)C)nc(NC(C)CC(C)C)n1
InChIInChI=1S/C17H32N4/c1-11(2)8-13(5)18-16-10-15(7)20-17(21-16)19-14(6)9-12(3)4/h10-14H,8-9H2,1-7H3,(H2,18,19,20,21)
InChIKeyZHVILDUKEFLQIU-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.48
Rot. Bonds8

About 6-methyl-2-N,4-N-bis(4-methylpentan-2-yl)pyrimidine-2,4-diamine

6-methyl-2-N,4-N-bis(4-methylpentan-2-yl)pyrimidine-2,4-diamine (PubChem CID 5276751) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 6-methyl-2-N,4-N-bis(4-methylpentan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N,4-N-bis(4-methylpentan-2-yl)pyrimidine-2,4-diamine
PubChem CID5276751
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name6-methyl-2-N,4-N-bis(4-methylpentan-2-yl)pyrimidine-2,4-diamine
SMILESCc1cc(NC(C)CC(C)C)nc(NC(C)CC(C)C)n1
InChIInChI=1S/C17H32N4/c1-11(2)8-13(5)18-16-10-15(7)20-17(21-16)19-14(6)9-12(3)4/h10-14H,8-9H2,1-7H3,(H2,18,19,20,21)
InChIKeyZHVILDUKEFLQIU-UHFFFAOYSA-N
XLogP4.48
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N,4-N-bis(4-methylpentan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-2-N,4-N-bis(4-methylpentan-2-yl)pyrimidine-2,4-diamine (CID 5276751) is 6-methyl-2-N,4-N-bis(4-methylpentan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N,4-N-bis(4-methylpentan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N,4-N-bis(4-methylpentan-2-yl)pyrimidine-2,4-diamine is Cc1cc(NC(C)CC(C)C)nc(NC(C)CC(C)C)n1.
What is the InChIKey of 6-methyl-2-N,4-N-bis(4-methylpentan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is ZHVILDUKEFLQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-11(2)8-13(5)18-16-10-15(7)20-17(21-16)19-14(6)9-12(3)4/h10-14H,8-9H2,1-7H3,(H2,18,19,20,21).
What are the key properties of 6-methyl-2-N,4-N-bis(4-methylpentan-2-yl)pyrimidine-2,4-diamine?
6-methyl-2-N,4-N-bis(4-methylpentan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 292.47 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N,4-N-bis(4-methylpentan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 5276751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).