N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]pteridin-4-amine

C21H27N7 — CID 167762209

IUPACN-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]pteridin-4-amine
SMILESCc1cccc(N2CCN(CCC(C)Nc3ncnc4nccnc34)CC2)c1
InChIInChI=1S/C21H27N7/c1-16-4-3-5-18(14-16)28-12-10-27(11-13-28)9-6-17(2)26-21-19-20(24-15-25-21)23-8-7-22-19/h3-5,7-8,14-15,17H,6,9-13H2,1-2H3,(H,23,24,25,26)
InChIKeyZENQOYJOVYQNQW-UHFFFAOYSA-N
MW377.50 g/mol
LogP2.74
Rot. Bonds6

About N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]pteridin-4-amine

N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]pteridin-4-amine (PubChem CID 167762209) has the molecular formula C21H27N7 and a molecular weight of 377.50 g/mol. Its IUPAC name is N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]pteridin-4-amine.

Molecular Properties

Compound NameN-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]pteridin-4-amine
PubChem CID167762209
Molecular FormulaC21H27N7
Molecular Weight377.50 g/mol
Exact Mass377.23
IUPAC NameN-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]pteridin-4-amine
SMILESCc1cccc(N2CCN(CCC(C)Nc3ncnc4nccnc34)CC2)c1
InChIInChI=1S/C21H27N7/c1-16-4-3-5-18(14-16)28-12-10-27(11-13-28)9-6-17(2)26-21-19-20(24-15-25-21)23-8-7-22-19/h3-5,7-8,14-15,17H,6,9-13H2,1-2H3,(H,23,24,25,26)
InChIKeyZENQOYJOVYQNQW-UHFFFAOYSA-N
XLogP2.74
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]thiophene-2-carboxamide
CID 55662630
trans-(1S,2S)-2-methyl-N-[(2S)-4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]cyclopropane-1-carboxamide
CID 36635694
3-chloro-6-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-ylamino]pyridine-2-carbonitrile
CID 56584147
2-ethyl-4-[4-(3-methylphenyl)piperazin-1-yl]butan-1-amine
CID 81080109
2-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55969249
3-(3-methylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]propanamide
CID 55662778
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-4-nitroaniline
CID 55680864
2-fluoro-5-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]benzenesulfonamide
CID 46452528
4-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine
CID 60851356
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 55662661
1-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]-2-oxoquinoline-4-carboxamide
CID 55762459

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]pteridin-4-amine?
The IUPAC name of N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]pteridin-4-amine (CID 167762209) is N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]pteridin-4-amine.
What is the SMILES notation for N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]pteridin-4-amine?
The canonical SMILES for N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]pteridin-4-amine is Cc1cccc(N2CCN(CCC(C)Nc3ncnc4nccnc34)CC2)c1.
What is the InChIKey of N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]pteridin-4-amine?
The InChIKey is ZENQOYJOVYQNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7/c1-16-4-3-5-18(14-16)28-12-10-27(11-13-28)9-6-17(2)26-21-19-20(24-15-25-21)23-8-7-22-19/h3-5,7-8,14-15,17H,6,9-13H2,1-2H3,(H,23,24,25,26).
What are the key properties of N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]pteridin-4-amine?
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]pteridin-4-amine has a molecular weight of 377.50 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]pteridin-4-amine is sourced from PubChem (CID 167762209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).