4-cyclobutyl-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine

C16H26N4 — CID 56919082

IUPAC4-cyclobutyl-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine
SMILESCc1cc(C2CCC2)nc(NCCC2CCCN2C)n1
InChIInChI=1S/C16H26N4/c1-12-11-15(13-5-3-6-13)19-16(18-12)17-9-8-14-7-4-10-20(14)2/h11,13-14H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyMDANFAOZSLZRKZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.95
Rot. Bonds5

About 4-cyclobutyl-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine

4-cyclobutyl-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine (PubChem CID 56919082) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-cyclobutyl-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclobutyl-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine
PubChem CID56919082
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name4-cyclobutyl-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine
SMILESCc1cc(C2CCC2)nc(NCCC2CCCN2C)n1
InChIInChI=1S/C16H26N4/c1-12-11-15(13-5-3-6-13)19-16(18-12)17-9-8-14-7-4-10-20(14)2/h11,13-14H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyMDANFAOZSLZRKZ-UHFFFAOYSA-N
XLogP2.95
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-cyclobutyl-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine (CID 56919082) is 4-cyclobutyl-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-cyclobutyl-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-cyclobutyl-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine is Cc1cc(C2CCC2)nc(NCCC2CCCN2C)n1.
What is the InChIKey of 4-cyclobutyl-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine?
The InChIKey is MDANFAOZSLZRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-12-11-15(13-5-3-6-13)19-16(18-12)17-9-8-14-7-4-10-20(14)2/h11,13-14H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of 4-cyclobutyl-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine?
4-cyclobutyl-6-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine has a molecular weight of 274.41 g/mol, XLogP of 2.95, 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-(1-methylpyrrolidin-2-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 56919082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).