4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine

C14H28N6 — CID 150437451

IUPAC4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
SMILESCC(C)CCC1(N)C=C(N2CCN(C)CC2)NC(N)=N1
InChIInChI=1S/C14H28N6/c1-11(2)4-5-14(16)10-12(17-13(15)18-14)20-8-6-19(3)7-9-20/h10-11H,4-9,16H2,1-3H3,(H3,15,17,18)
InChIKeyHLBHSHVEESGAGM-UHFFFAOYSA-N
MW280.42 g/mol
LogP0.08
Rot. Bonds4

About 4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine

4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine (PubChem CID 150437451) has the molecular formula C14H28N6 and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
PubChem CID150437451
Molecular FormulaC14H28N6
Molecular Weight280.42 g/mol
Exact Mass280.24
IUPAC Name4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
SMILESCC(C)CCC1(N)C=C(N2CCN(C)CC2)NC(N)=N1
InChIInChI=1S/C14H28N6/c1-11(2)4-5-14(16)10-12(17-13(15)18-14)20-8-6-19(3)7-9-20/h10-11H,4-9,16H2,1-3H3,(H3,15,17,18)
InChIKeyHLBHSHVEESGAGM-UHFFFAOYSA-N
XLogP0.08
TPSA82.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine 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-(2,2-dimethylpropyl)-6-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
CID 143492545
4-ethyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
CID 143492547
4-(3,3-dimethylbutyl)-2-N,2-N-dimethyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
CID 149705877
4-(3,3-dimethylbutyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
CID 150809584
4-(3,3-dimethylbutyl)-6-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
CID 150913111
6-piperazin-1-yl-4-propan-2-yl-1H-pyrimidine-2,4-diamine
CID 151379503
4-(2,2-dimethylpropyl)-6-[3-(methylamino)piperidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 151881713
4-(cyclopropylmethyl)-6-[3-(methylamino)piperidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 152261430
4-ethyl-6-[3-(methylamino)piperidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 152324885
4-(3,3-Dimethylbutyl)-2-methylimino-6-(4-methylpiperazin-1-yl)-1,3-dihydropyrimidin-4-amine
CID 152397879
4-(cyclopropylmethyl)-6-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine
CID 152629962
4-(cyclopropylmethyl)-6-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine
CID 152629963

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine (CID 150437451) is 4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine is CC(C)CCC1(N)C=C(N2CCN(C)CC2)NC(N)=N1.
What is the InChIKey of 4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine?
The InChIKey is HLBHSHVEESGAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6/c1-11(2)4-5-14(16)10-12(17-13(15)18-14)20-8-6-19(3)7-9-20/h10-11H,4-9,16H2,1-3H3,(H3,15,17,18).
What are the key properties of 4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine?
4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine has a molecular weight of 280.42 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 150437451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).