5-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-2-amine

C17H23N5 — CID 72856835

IUPAC5-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
SMILESCCc1cnc(N)nc1N1CCN(c2ccc(C)cc2)CC1
InChIInChI=1S/C17H23N5/c1-3-14-12-19-17(18)20-16(14)22-10-8-21(9-11-22)15-6-4-13(2)5-7-15/h4-7,12H,3,8-11H2,1-2H3,(H2,18,19,20)
InChIKeySHTOMZHBTGKIQR-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.26
Rot. Bonds3

About 5-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-2-amine

5-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 72856835) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 5-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID72856835
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name5-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
SMILESCCc1cnc(N)nc1N1CCN(c2ccc(C)cc2)CC1
InChIInChI=1S/C17H23N5/c1-3-14-12-19-17(18)20-16(14)22-10-8-21(9-11-22)15-6-4-13(2)5-7-15/h4-7,12H,3,8-11H2,1-2H3,(H2,18,19,20)
InChIKeySHTOMZHBTGKIQR-UHFFFAOYSA-N
XLogP2.26
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-ethylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 72838612
[4-(2-amino-5-ethylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 137341507
5-ethyl-4-(4-methoxy-4-phenylpiperidin-1-yl)pyrimidin-2-amine
CID 72890235
1-(2-amino-5-ethylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol
CID 72879539
5-ethyl-4-(3-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 72862152
5-ethyl-4-[(3S)-3-phenylpiperazin-1-yl]pyrimidin-2-amine
CID 97192131
5-ethyl-4-[(3R)-3-phenylpiperazin-1-yl]pyrimidin-2-amine
CID 97192130
1-[4-[4-(2-amino-6-ethyl-5-methylpyrimidin-4-yl)piperazin-1-yl]phenyl]ethanone
CID 72903020
4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidin-2-amine
CID 80757578
(2R,4R)-9-(2-amino-5-ethylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 155506874
2-[1-(2-amino-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide
CID 137341679
4-chloro-5-ethylpyrimidin-2-amine
CID 24903854

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 5-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-2-amine (CID 72856835) is 5-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 5-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-2-amine is CCc1cnc(N)nc1N1CCN(c2ccc(C)cc2)CC1.
What is the InChIKey of 5-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is SHTOMZHBTGKIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-3-14-12-19-17(18)20-16(14)22-10-8-21(9-11-22)15-6-4-13(2)5-7-15/h4-7,12H,3,8-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 5-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-2-amine?
5-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 297.41 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 72856835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).