4-cyclobutyl-6-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)pyrimidin-2-amine

C17H28N4 — CID 56870813

IUPAC4-cyclobutyl-6-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
SMILESCc1cc(C2CCC2)nc(NCC(C)(C)N2CCCC2)n1
InChIInChI=1S/C17H28N4/c1-13-11-15(14-7-6-8-14)20-16(19-13)18-12-17(2,3)21-9-4-5-10-21/h11,14H,4-10,12H2,1-3H3,(H,18,19,20)
InChIKeyKKOZDPBAVKJQJG-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.34
Rot. Bonds5

About 4-cyclobutyl-6-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)pyrimidin-2-amine

4-cyclobutyl-6-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)pyrimidin-2-amine (PubChem CID 56870813) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-cyclobutyl-6-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclobutyl-6-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
PubChem CID56870813
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name4-cyclobutyl-6-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
SMILESCc1cc(C2CCC2)nc(NCC(C)(C)N2CCCC2)n1
InChIInChI=1S/C17H28N4/c1-13-11-15(14-7-6-8-14)20-16(19-13)18-12-17(2,3)21-9-4-5-10-21/h11,14H,4-10,12H2,1-3H3,(H,18,19,20)
InChIKeyKKOZDPBAVKJQJG-UHFFFAOYSA-N
XLogP3.34
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Jnj-39758979
CID 24994634
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-[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-6-cyclopentylpyrimidin-2-amine
CID 59777258
4-[(3R)-3-aminopyrrolidin-1-yl]-6-cyclopentylpyrimidin-2-amine
CID 59777338
4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 59777341
3-nonyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-8-ium-1-amine
CID 134155463
4-(3-Amino-azetidin-1-yl)-6-cyclopentyl-pyrimidin-2-ylamine
CID 24797956
4-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24992077

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-6-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-cyclobutyl-6-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)pyrimidin-2-amine (CID 56870813) is 4-cyclobutyl-6-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-cyclobutyl-6-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-cyclobutyl-6-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)pyrimidin-2-amine is Cc1cc(C2CCC2)nc(NCC(C)(C)N2CCCC2)n1.
What is the InChIKey of 4-cyclobutyl-6-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)pyrimidin-2-amine?
The InChIKey is KKOZDPBAVKJQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-13-11-15(14-7-6-8-14)20-16(19-13)18-12-17(2,3)21-9-4-5-10-21/h11,14H,4-10,12H2,1-3H3,(H,18,19,20).
What are the key properties of 4-cyclobutyl-6-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)pyrimidin-2-amine?
4-cyclobutyl-6-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)pyrimidin-2-amine has a molecular weight of 288.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-6-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 56870813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).