6-(4-methyl-1,4-diazepan-1-yl)-5-(2-methylpropyl)pyrimidine-2,4-diamine

C14H26N6 — CID 66741126

IUPAC6-(4-methyl-1,4-diazepan-1-yl)-5-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)Cc1c(N)nc(N)nc1N1CCCN(C)CC1
InChIInChI=1S/C14H26N6/c1-10(2)9-11-12(15)17-14(16)18-13(11)20-6-4-5-19(3)7-8-20/h10H,4-9H2,1-3H3,(H4,15,16,17,18)
InChIKeyGBIXGEUXNXQDQL-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.98
Rot. Bonds3

About 6-(4-methyl-1,4-diazepan-1-yl)-5-(2-methylpropyl)pyrimidine-2,4-diamine

6-(4-methyl-1,4-diazepan-1-yl)-5-(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 66741126) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is 6-(4-methyl-1,4-diazepan-1-yl)-5-(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-methyl-1,4-diazepan-1-yl)-5-(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID66741126
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC Name6-(4-methyl-1,4-diazepan-1-yl)-5-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)Cc1c(N)nc(N)nc1N1CCCN(C)CC1
InChIInChI=1S/C14H26N6/c1-10(2)9-11-12(15)17-14(16)18-13(11)20-6-4-5-19(3)7-8-20/h10H,4-9H2,1-3H3,(H4,15,16,17,18)
InChIKeyGBIXGEUXNXQDQL-UHFFFAOYSA-N
XLogP0.98
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-1,4-diazepan-1-yl)-5-(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(4-methyl-1,4-diazepan-1-yl)-5-(2-methylpropyl)pyrimidine-2,4-diamine (CID 66741126) is 6-(4-methyl-1,4-diazepan-1-yl)-5-(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-methyl-1,4-diazepan-1-yl)-5-(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-methyl-1,4-diazepan-1-yl)-5-(2-methylpropyl)pyrimidine-2,4-diamine is CC(C)Cc1c(N)nc(N)nc1N1CCCN(C)CC1.
What is the InChIKey of 6-(4-methyl-1,4-diazepan-1-yl)-5-(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is GBIXGEUXNXQDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6/c1-10(2)9-11-12(15)17-14(16)18-13(11)20-6-4-5-19(3)7-8-20/h10H,4-9H2,1-3H3,(H4,15,16,17,18).
What are the key properties of 6-(4-methyl-1,4-diazepan-1-yl)-5-(2-methylpropyl)pyrimidine-2,4-diamine?
6-(4-methyl-1,4-diazepan-1-yl)-5-(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 278.40 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-1,4-diazepan-1-yl)-5-(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 66741126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).