N-butyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine

C18H26N6 — CID 112908336

IUPACN-butyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCCCNc1nc(C)cc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C18H26N6/c1-3-4-8-20-18-21-15(2)14-17(22-18)24-12-10-23(11-13-24)16-7-5-6-9-19-16/h5-7,9,14H,3-4,8,10-13H2,1-2H3,(H,20,21,22)
InChIKeyDTFMZWFXKOAXLV-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.72
Rot. Bonds6

About N-butyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine

N-butyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 112908336) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is N-butyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-butyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID112908336
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC NameN-butyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
SMILESCCCCNc1nc(C)cc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C18H26N6/c1-3-4-8-20-18-21-15(2)14-17(22-18)24-12-10-23(11-13-24)16-7-5-6-9-19-16/h5-7,9,14H,3-4,8,10-13H2,1-2H3,(H,20,21,22)
InChIKeyDTFMZWFXKOAXLV-UHFFFAOYSA-N
XLogP2.72
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(pyridin-2-ylmethyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112919280
4-methyl-N-pentyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112922177
4-[2-(butylamino)-6-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112908286
N-(furan-2-ylmethyl)-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112915331
N-cyclopropyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112907588
N-(2,5-dimethylphenyl)-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112923847
N-cycloheptyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112923831
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-pentylpyrimidin-2-amine
CID 112920323
4-methyl-6-(4-phenylpiperazin-1-yl)-N-(3-phenylpropyl)pyrimidin-2-amine
CID 112922173
N-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112908361
N-(3-phenylpropyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898736
4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 80792256

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-butyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine (CID 112908336) is N-butyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-butyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-butyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine is CCCCNc1nc(C)cc(N2CCN(c3ccccn3)CC2)n1.
What is the InChIKey of N-butyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is DTFMZWFXKOAXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-3-4-8-20-18-21-15(2)14-17(22-18)24-12-10-23(11-13-24)16-7-5-6-9-19-16/h5-7,9,14H,3-4,8,10-13H2,1-2H3,(H,20,21,22).
What are the key properties of N-butyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine?
N-butyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 326.45 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112908336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).