N-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine

C17H25N7 — CID 112898903

IUPACN-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCCCCNc1nccc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C17H25N7/c1-2-3-4-7-18-16-19-10-6-15(22-16)23-11-13-24(14-12-23)17-20-8-5-9-21-17/h5-6,8-10H,2-4,7,11-14H2,1H3,(H,18,19,22)
InChIKeyNMNUCHQLOLRAPP-UHFFFAOYSA-N
MW327.44 g/mol
LogP2.20
Rot. Bonds7

About N-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine

N-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 112898903) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is N-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID112898903
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC NameN-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCCCCNc1nccc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C17H25N7/c1-2-3-4-7-18-16-19-10-6-15(22-16)23-11-13-24(14-12-23)17-20-8-5-9-21-17/h5-6,8-10H,2-4,7,11-14H2,1H3,(H,18,19,22)
InChIKeyNMNUCHQLOLRAPP-UHFFFAOYSA-N
XLogP2.20
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N',N'-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]propane-1,3-diamine
CID 112887781
N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112882993
N-pentyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112958107
N-(3-phenylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898736
4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 112881929
4-methyl-N-pentyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112922177
N-propyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80757346
4-(4,4-dimethylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80843521
N-butyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112908336
N-(2-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112952966
4-methyl-N-octylpyrimidin-2-amine
CID 115568939
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine
CID 80805920

Frequently Asked Questions

What is the IUPAC name of N-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine (CID 112898903) is N-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine is CCCCCNc1nccc(N2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of N-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is NMNUCHQLOLRAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7/c1-2-3-4-7-18-16-19-10-6-15(22-16)23-11-13-24(14-12-23)17-20-8-5-9-21-17/h5-6,8-10H,2-4,7,11-14H2,1H3,(H,18,19,22).
What are the key properties of N-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
N-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 327.44 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112898903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).