4-cyclopentyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine

C16H26N4 — CID 56918212

IUPAC4-cyclopentyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
SMILESCN(CC1CCCN1C)c1nccc(C2CCCC2)n1
InChIInChI=1S/C16H26N4/c1-19-11-5-8-14(19)12-20(2)16-17-10-9-15(18-16)13-6-3-4-7-13/h9-10,13-14H,3-8,11-12H2,1-2H3
InChIKeyAHGVSCDZNROZPA-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.66
Rot. Bonds4

About 4-cyclopentyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine

4-cyclopentyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine (PubChem CID 56918212) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-cyclopentyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
PubChem CID56918212
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name4-cyclopentyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine
SMILESCN(CC1CCCN1C)c1nccc(C2CCCC2)n1
InChIInChI=1S/C16H26N4/c1-19-11-5-8-14(19)12-20(2)16-17-10-9-15(18-16)13-6-3-4-7-13/h9-10,13-14H,3-8,11-12H2,1-2H3
InChIKeyAHGVSCDZNROZPA-UHFFFAOYSA-N
XLogP2.66
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-cyclopentyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine (CID 56918212) is 4-cyclopentyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopentyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-cyclopentyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine is CN(CC1CCCN1C)c1nccc(C2CCCC2)n1.
What is the InChIKey of 4-cyclopentyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine?
The InChIKey is AHGVSCDZNROZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-19-11-5-8-14(19)12-20(2)16-17-10-9-15(18-16)13-6-3-4-7-13/h9-10,13-14H,3-8,11-12H2,1-2H3.
What are the key properties of 4-cyclopentyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine?
4-cyclopentyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine has a molecular weight of 274.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 56918212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).