3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylethyl)propanamide

C20H28N6O — CID 91833416

IUPAC3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylethyl)propanamide
SMILESCc1cc(N2CCN(CCC(=O)NC(C)c3ccccc3)CC2)nc(N)n1
InChIInChI=1S/C20H28N6O/c1-15-14-18(24-20(21)22-15)26-12-10-25(11-13-26)9-8-19(27)23-16(2)17-6-4-3-5-7-17/h3-7,14,16H,8-13H2,1-2H3,(H,23,27)(H2,21,22,24)
InChIKeyUITJWGNWOWYJSU-UHFFFAOYSA-N
MW368.49 g/mol
LogP1.76
Rot. Bonds6

About 3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylethyl)propanamide

3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylethyl)propanamide (PubChem CID 91833416) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylethyl)propanamide
PubChem CID91833416
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylethyl)propanamide
SMILESCc1cc(N2CCN(CCC(=O)NC(C)c3ccccc3)CC2)nc(N)n1
InChIInChI=1S/C20H28N6O/c1-15-14-18(24-20(21)22-15)26-12-10-25(11-13-26)9-8-19(27)23-16(2)17-6-4-3-5-7-17/h3-7,14,16H,8-13H2,1-2H3,(H,23,27)(H2,21,22,24)
InChIKeyUITJWGNWOWYJSU-UHFFFAOYSA-N
XLogP1.76
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 24588722
3-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 24589378
N-[1-(3-chlorophenyl)ethyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 42887409
3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide
CID 33177312
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 16560439
3-(4-benzhydrylpiperazin-1-yl)-N-(4,6-dimethyl-2-pyridinyl)propanamide
CID 10365291
3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 24589341
N-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95339552
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 22198819
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 7415935
5-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)pentanamide
CID 42739353
2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylbutyl)acetamide
CID 86868261

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylethyl)propanamide (CID 91833416) is 3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylethyl)propanamide is Cc1cc(N2CCN(CCC(=O)NC(C)c3ccccc3)CC2)nc(N)n1.
What is the InChIKey of 3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylethyl)propanamide?
The InChIKey is UITJWGNWOWYJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-15-14-18(24-20(21)22-15)26-12-10-25(11-13-26)9-8-19(27)23-16(2)17-6-4-3-5-7-17/h3-7,14,16H,8-13H2,1-2H3,(H,23,27)(H2,21,22,24).
What are the key properties of 3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylethyl)propanamide?
3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylethyl)propanamide has a molecular weight of 368.49 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 91833416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).