4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-2,4,6-triamine

C16H31N5 — CID 80837748

IUPAC4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(N(CC(C)C)C(CC)CC)nc(N)n1
InChIInChI=1S/C16H31N5/c1-6-9-18-14-10-15(20-16(17)19-14)21(11-12(4)5)13(7-2)8-3/h10,12-13H,6-9,11H2,1-5H3,(H3,17,18,19,20)
InChIKeyYUUAKOYNKZAWHT-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.53
Rot. Bonds9

About 4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-2,4,6-triamine

4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80837748) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is 4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID80837748
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Name4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(N(CC(C)C)C(CC)CC)nc(N)n1
InChIInChI=1S/C16H31N5/c1-6-9-18-14-10-15(20-16(17)19-14)21(11-12(4)5)13(7-2)8-3/h10,12-13H,6-9,11H2,1-5H3,(H3,17,18,19,20)
InChIKeyYUUAKOYNKZAWHT-UHFFFAOYSA-N
XLogP3.53
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-ethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80776357
4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-4,6-diamine
CID 80850356
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80776337
6-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80849194
4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,6-triamine
CID 80815785
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide
CID 80806397
6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-4-amine
CID 80968795
4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80815573
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80810065
2-cyclopropyl-6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine
CID 80968796
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
4-N-(2-methylbutyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80832143

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-2,4,6-triamine (CID 80837748) is 4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(N(CC(C)C)C(CC)CC)nc(N)n1.
What is the InChIKey of 4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is YUUAKOYNKZAWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-6-9-18-14-10-15(20-16(17)19-14)21(11-12(4)5)13(7-2)8-3/h10,12-13H,6-9,11H2,1-5H3,(H3,17,18,19,20).
What are the key properties of 4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-2,4,6-triamine?
4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 293.46 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80837748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).