6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine

C14H25N5 — CID 112857956

IUPAC6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine
SMILESCCCCCNc1cc(N2CCN(C)CC2)ncn1
InChIInChI=1S/C14H25N5/c1-3-4-5-6-15-13-11-14(17-12-16-13)19-9-7-18(2)8-10-19/h11-12H,3-10H2,1-2H3,(H,15,16,17)
InChIKeyXRSOTWFBWOSEAJ-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.83
Rot. Bonds6

About 6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine

6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine (PubChem CID 112857956) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine
PubChem CID112857956
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine
SMILESCCCCCNc1cc(N2CCN(C)CC2)ncn1
InChIInChI=1S/C14H25N5/c1-3-4-5-6-15-13-11-14(17-12-16-13)19-9-7-18(2)8-10-19/h11-12H,3-10H2,1-2H3,(H,15,16,17)
InChIKeyXRSOTWFBWOSEAJ-UHFFFAOYSA-N
XLogP1.83
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-morpholin-4-yl-N-pentylpyrimidin-4-amine
CID 112857074
1-[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112855082
6-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-4-amine
CID 58940632
ethyl 4-[6-(butylamino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112855122
4-N,6-N-dihexylpyrimidine-4,6-diamine
CID 2747970
N-(4-butylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968434
N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112855144
6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)pyrimidin-4-amine
CID 112856838
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354483
[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112855130
6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine
CID 80822758
N-(4-ethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968384

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine (CID 112857956) is 6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine is CCCCCNc1cc(N2CCN(C)CC2)ncn1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine?
The InChIKey is XRSOTWFBWOSEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-3-4-5-6-15-13-11-14(17-12-16-13)19-9-7-18(2)8-10-19/h11-12H,3-10H2,1-2H3,(H,15,16,17).
What are the key properties of 6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine?
6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine has a molecular weight of 263.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine is sourced from PubChem (CID 112857956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).