4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine

C20H29N5O — CID 112900262

IUPAC4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine
SMILESCOc1ccc(N2CCN(c3ccnc(NCCC(C)C)n3)CC2)cc1
InChIInChI=1S/C20H29N5O/c1-16(2)8-10-21-20-22-11-9-19(23-20)25-14-12-24(13-15-25)17-4-6-18(26-3)7-5-17/h4-7,9,11,16H,8,10,12-15H2,1-3H3,(H,21,22,23)
InChIKeySFHTVAGWWBQJMM-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.27
Rot. Bonds7

About 4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine

4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine (PubChem CID 112900262) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine
PubChem CID112900262
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine
SMILESCOc1ccc(N2CCN(c3ccnc(NCCC(C)C)n3)CC2)cc1
InChIInChI=1S/C20H29N5O/c1-16(2)8-10-21-20-22-11-9-19(23-20)25-14-12-24(13-15-25)17-4-6-18(26-3)7-5-17/h4-7,9,11,16H,8,10,12-15H2,1-3H3,(H,21,22,23)
InChIKeySFHTVAGWWBQJMM-UHFFFAOYSA-N
XLogP3.27
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-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

4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidin-2-amine
CID 112882740
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine
CID 112898366
N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112884384
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883380
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-2-amine
CID 112885883
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylbutyl)pyrimidin-2-amine
CID 112899597
[4-(4-methoxyphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone
CID 109175248
N-[2-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 112886390
4-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112892567
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112899521
N-(3,4-difluorophenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112901714
N',N'-dimethyl-N-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 112887151

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine (CID 112900262) is 4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine is COc1ccc(N2CCN(c3ccnc(NCCC(C)C)n3)CC2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine?
The InChIKey is SFHTVAGWWBQJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-16(2)8-10-21-20-22-11-9-19(23-20)25-14-12-24(13-15-25)17-4-6-18(26-3)7-5-17/h4-7,9,11,16H,8,10,12-15H2,1-3H3,(H,21,22,23).
What are the key properties of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine?
4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine has a molecular weight of 355.49 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine is sourced from PubChem (CID 112900262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).