6-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine

C9H17N5 — CID 80770072

IUPAC6-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
SMILESCNc1cc(NCC(C)C)nc(N)n1
InChIInChI=1S/C9H17N5/c1-6(2)5-12-8-4-7(11-3)13-9(10)14-8/h4,6H,5H2,1-3H3,(H4,10,11,12,13,14)
InChIKeyZBYOZUFRNMHNKV-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.17
Rot. Bonds4

About 6-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine

6-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine (PubChem CID 80770072) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 6-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
PubChem CID80770072
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name6-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
SMILESCNc1cc(NCC(C)C)nc(N)n1
InChIInChI=1S/C9H17N5/c1-6(2)5-12-8-4-7(11-3)13-9(10)14-8/h4,6H,5H2,1-3H3,(H4,10,11,12,13,14)
InChIKeyZBYOZUFRNMHNKV-UHFFFAOYSA-N
XLogP1.17
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,2-difluoroethyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 115409505
4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80770441
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
6-N-[2-[(2-amino-6-phenylpyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 71681479
4-N-butyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80784820
4-N-[2-[butan-2-yl(methyl)amino]ethyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 114133534
6-N-ethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4,6-triamine
CID 83146706
6-N-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4,6-triamine
CID 80848372
4-N-hexyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80836329
6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80794701
4-N-(2-methylbutyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80832143

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine (CID 80770072) is 6-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine is CNc1cc(NCC(C)C)nc(N)n1.
What is the InChIKey of 6-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine?
The InChIKey is ZBYOZUFRNMHNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-6(2)5-12-8-4-7(11-3)13-9(10)14-8/h4,6H,5H2,1-3H3,(H4,10,11,12,13,14).
What are the key properties of 6-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine?
6-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine has a molecular weight of 195.27 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80770072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).