N-(4-butylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine

C19H27N5 — CID 99968434

IUPACN-(4-butylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCCCc1ccc(Nc2cc(N3CCN(C)CC3)ncn2)cc1
InChIInChI=1S/C19H27N5/c1-3-4-5-16-6-8-17(9-7-16)22-18-14-19(21-15-20-18)24-12-10-23(2)11-13-24/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,20,21,22)
InChIKeyMAAOIMFMDRGXNL-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.31
Rot. Bonds6

About N-(4-butylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine

N-(4-butylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 99968434) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-(4-butylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-butylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID99968434
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC NameN-(4-butylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCCCc1ccc(Nc2cc(N3CCN(C)CC3)ncn2)cc1
InChIInChI=1S/C19H27N5/c1-3-4-5-16-6-8-17(9-7-16)22-18-14-19(21-15-20-18)24-12-10-23(2)11-13-24/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,20,21,22)
InChIKeyMAAOIMFMDRGXNL-UHFFFAOYSA-N
XLogP3.31
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968384
6-(4-methylpiperazin-1-yl)-N-pentylpyrimidin-4-amine
CID 112857956
N-(4-butylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80895038
N-(4-ethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863306
N-(4-ethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856432
N-(3-chloro-4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968425
6-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112857972
N-(4-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862245
N-(4-ethoxyphenyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112862274
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylpropanamide
CID 90543791
6-(4-methylpiperazin-1-yl)-N-(2-methylsulfanylphenyl)pyrimidin-4-amine
CID 99968435
N-[(Z)-1-(4-butylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
CID 5379195

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(4-butylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 99968434) is N-(4-butylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-butylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(4-butylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine is CCCCc1ccc(Nc2cc(N3CCN(C)CC3)ncn2)cc1.
What is the InChIKey of N-(4-butylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is MAAOIMFMDRGXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-3-4-5-16-6-8-17(9-7-16)22-18-14-19(21-15-20-18)24-12-10-23(2)11-13-24/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,20,21,22).
What are the key properties of N-(4-butylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
N-(4-butylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 325.46 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 99968434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).