6-piperazin-1-yl-4-propan-2-yl-1H-pyrimidine-2,4-diamine

C11H22N6 — CID 151379503

IUPAC6-piperazin-1-yl-4-propan-2-yl-1H-pyrimidine-2,4-diamine
SMILESCC(C)C1(N)C=C(N2CCNCC2)NC(N)=N1
InChIInChI=1S/C11H22N6/c1-8(2)11(13)7-9(15-10(12)16-11)17-5-3-14-4-6-17/h7-8,14H,3-6,13H2,1-2H3,(H3,12,15,16)
InChIKeyOSCOOZXGQIBJNV-UHFFFAOYSA-N
MW238.34 g/mol
LogP-1.04
Rot. Bonds2

About 6-piperazin-1-yl-4-propan-2-yl-1H-pyrimidine-2,4-diamine

6-piperazin-1-yl-4-propan-2-yl-1H-pyrimidine-2,4-diamine (PubChem CID 151379503) has the molecular formula C11H22N6 and a molecular weight of 238.34 g/mol. Its IUPAC name is 6-piperazin-1-yl-4-propan-2-yl-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-piperazin-1-yl-4-propan-2-yl-1H-pyrimidine-2,4-diamine
PubChem CID151379503
Molecular FormulaC11H22N6
Molecular Weight238.34 g/mol
Exact Mass238.19
IUPAC Name6-piperazin-1-yl-4-propan-2-yl-1H-pyrimidine-2,4-diamine
SMILESCC(C)C1(N)C=C(N2CCNCC2)NC(N)=N1
InChIInChI=1S/C11H22N6/c1-8(2)11(13)7-9(15-10(12)16-11)17-5-3-14-4-6-17/h7-8,14H,3-6,13H2,1-2H3,(H3,12,15,16)
InChIKeyOSCOOZXGQIBJNV-UHFFFAOYSA-N
XLogP-1.04
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-piperazin-1-yl-4-propan-2-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-Methyl-6-piperazin-1-yl-1,4-dihydropyrimidine
CID 118973363
4-Methyl-2-methylimino-6-(4-methylpiperazin-1-yl)-1,3-dihydropyrimidin-4-amine
CID 136388158
4,4-dimethyl-2-piperazin-1-yl-1H-pyrimidine
CID 139986213
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
6-(4-Ethylpiperazin-1-yl)-4-methyl-1,4-dihydropyrimidine
CID 144696996
4-methyl-6-piperazin-1-yl-1H-pyrimidine-2,4-diamine
CID 149683400
4-N,4-dimethyl-2-piperazin-1-yl-1H-pyrimidine-4,6-diamine
CID 150184202
4-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
CID 150437451
4-(3,3-dimethylbutyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
CID 150809584
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

Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-yl-4-propan-2-yl-1H-pyrimidine-2,4-diamine?
The IUPAC name of 6-piperazin-1-yl-4-propan-2-yl-1H-pyrimidine-2,4-diamine (CID 151379503) is 6-piperazin-1-yl-4-propan-2-yl-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 6-piperazin-1-yl-4-propan-2-yl-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 6-piperazin-1-yl-4-propan-2-yl-1H-pyrimidine-2,4-diamine is CC(C)C1(N)C=C(N2CCNCC2)NC(N)=N1.
What is the InChIKey of 6-piperazin-1-yl-4-propan-2-yl-1H-pyrimidine-2,4-diamine?
The InChIKey is OSCOOZXGQIBJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6/c1-8(2)11(13)7-9(15-10(12)16-11)17-5-3-14-4-6-17/h7-8,14H,3-6,13H2,1-2H3,(H3,12,15,16).
What are the key properties of 6-piperazin-1-yl-4-propan-2-yl-1H-pyrimidine-2,4-diamine?
6-piperazin-1-yl-4-propan-2-yl-1H-pyrimidine-2,4-diamine has a molecular weight of 238.34 g/mol, XLogP of -1.04, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-yl-4-propan-2-yl-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 151379503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).