4-cyclobutyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-6-methylpyrimidin-2-amine

C19H33N5 — CID 56879801

IUPAC4-cyclobutyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-6-methylpyrimidin-2-amine
SMILESCCN1CCN(C(C)(C)CNc2nc(C)cc(C3CCC3)n2)CC1
InChIInChI=1S/C19H33N5/c1-5-23-9-11-24(12-10-23)19(3,4)14-20-18-21-15(2)13-17(22-18)16-7-6-8-16/h13,16H,5-12,14H2,1-4H3,(H,20,21,22)
InChIKeyJYMJKAFLAMSSDB-UHFFFAOYSA-N
MW331.51 g/mol
LogP2.88
Rot. Bonds6

About 4-cyclobutyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-6-methylpyrimidin-2-amine

4-cyclobutyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-6-methylpyrimidin-2-amine (PubChem CID 56879801) has the molecular formula C19H33N5 and a molecular weight of 331.51 g/mol. Its IUPAC name is 4-cyclobutyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclobutyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-6-methylpyrimidin-2-amine
PubChem CID56879801
Molecular FormulaC19H33N5
Molecular Weight331.51 g/mol
Exact Mass331.27
IUPAC Name4-cyclobutyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-6-methylpyrimidin-2-amine
SMILESCCN1CCN(C(C)(C)CNc2nc(C)cc(C3CCC3)n2)CC1
InChIInChI=1S/C19H33N5/c1-5-23-9-11-24(12-10-23)19(3,4)14-20-18-21-15(2)13-17(22-18)16-7-6-8-16/h13,16H,5-12,14H2,1-4H3,(H,20,21,22)
InChIKeyJYMJKAFLAMSSDB-UHFFFAOYSA-N
XLogP2.88
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Cycloheptyl-6-(3-Piperidin-1-Ylpropyl)pyrimidine-2-Carbonitrile
CID 11669355
4-Cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 24797604
4-Cyclopentyl-6-(piperazin-1-yl)-pyrimidin-2-ylamine
CID 24798144
4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-cyclopentylpyrimidin-2-amine
CID 24798232
4-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994542
4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 53257796
4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 59777341
4-t-Butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamine
CID 24797775
4-(3-Amino-azetidin-1-yl)-6-cyclopentyl-pyrimidin-2-ylamine
CID 24797956
4-[(3R)-3-aminopiperidin-1-yl]-6-cyclopentylpyrimidin-2-amine
CID 24994630
4-Cyclopentyl-6-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine
CID 24996854
4-Tert-butyl-6-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 25128826

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-cyclobutyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-6-methylpyrimidin-2-amine (CID 56879801) is 4-cyclobutyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-cyclobutyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-cyclobutyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-6-methylpyrimidin-2-amine is CCN1CCN(C(C)(C)CNc2nc(C)cc(C3CCC3)n2)CC1.
What is the InChIKey of 4-cyclobutyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-6-methylpyrimidin-2-amine?
The InChIKey is JYMJKAFLAMSSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5/c1-5-23-9-11-24(12-10-23)19(3,4)14-20-18-21-15(2)13-17(22-18)16-7-6-8-16/h13,16H,5-12,14H2,1-4H3,(H,20,21,22).
What are the key properties of 4-cyclobutyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-6-methylpyrimidin-2-amine?
4-cyclobutyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-6-methylpyrimidin-2-amine has a molecular weight of 331.51 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 56879801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).