5-(piperazin-1-ylmethyl)-4-propan-2-ylpyrimidin-2-amine

C12H21N5 — CID 82510651

IUPAC5-(piperazin-1-ylmethyl)-4-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1nc(N)ncc1CN1CCNCC1
InChIInChI=1S/C12H21N5/c1-9(2)11-10(7-15-12(13)16-11)8-17-5-3-14-4-6-17/h7,9,14H,3-6,8H2,1-2H3,(H2,13,15,16)
InChIKeyBVMBABNHJBDBER-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.59
Rot. Bonds3

About 5-(piperazin-1-ylmethyl)-4-propan-2-ylpyrimidin-2-amine

5-(piperazin-1-ylmethyl)-4-propan-2-ylpyrimidin-2-amine (PubChem CID 82510651) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(piperazin-1-ylmethyl)-4-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(piperazin-1-ylmethyl)-4-propan-2-ylpyrimidin-2-amine
PubChem CID82510651
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name5-(piperazin-1-ylmethyl)-4-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1nc(N)ncc1CN1CCNCC1
InChIInChI=1S/C12H21N5/c1-9(2)11-10(7-15-12(13)16-11)8-17-5-3-14-4-6-17/h7,9,14H,3-6,8H2,1-2H3,(H2,13,15,16)
InChIKeyBVMBABNHJBDBER-UHFFFAOYSA-N
XLogP0.59
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(piperazin-1-ylmethyl)-4-propan-2-ylpyrimidin-2-amine 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

5-(aminomethyl)-4-propan-2-ylpyrimidin-2-amine
CID 82502995
2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 82191059
5-(piperazin-1-ylmethyl)pyrazin-2-amine
CID 117213222
2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)pyrimidine
CID 178104268
1-ethyl-4-(piperazin-1-ylmethyl)pyrazol-5-amine
CID 117216696
1-[(5-propan-2-yl-2-pyridinyl)methyl]piperazine
CID 138459736
4-methyl-6-(piperazin-1-ylmethyl)pyrimidin-2-amine
CID 82507434
1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine
CID 82509495
1-[(2,3-dimethyl-5-propan-2-ylphenyl)methyl]piperazine
CID 117368977
4-(piperazin-1-ylmethyl)-2,6-naphthyridine
CID 84792284
2-methyl-4-(piperazin-1-ylmethyl)-6-propan-2-yl-1,3,5-triazine
CID 82476264
1-methyl-2-(piperazin-1-ylmethyl)imidazol-4-amine
CID 117187169

Frequently Asked Questions

What is the IUPAC name of 5-(piperazin-1-ylmethyl)-4-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 5-(piperazin-1-ylmethyl)-4-propan-2-ylpyrimidin-2-amine (CID 82510651) is 5-(piperazin-1-ylmethyl)-4-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-(piperazin-1-ylmethyl)-4-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-(piperazin-1-ylmethyl)-4-propan-2-ylpyrimidin-2-amine is CC(C)c1nc(N)ncc1CN1CCNCC1.
What is the InChIKey of 5-(piperazin-1-ylmethyl)-4-propan-2-ylpyrimidin-2-amine?
The InChIKey is BVMBABNHJBDBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-9(2)11-10(7-15-12(13)16-11)8-17-5-3-14-4-6-17/h7,9,14H,3-6,8H2,1-2H3,(H2,13,15,16).
What are the key properties of 5-(piperazin-1-ylmethyl)-4-propan-2-ylpyrimidin-2-amine?
5-(piperazin-1-ylmethyl)-4-propan-2-ylpyrimidin-2-amine has a molecular weight of 235.33 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperazin-1-ylmethyl)-4-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 82510651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).