4-(4-cyclohexyl-2-methylpyrrolidin-1-yl)-N,N-diethylpyrimidin-2-amine

C19H32N4 — CID 166382797

IUPAC4-(4-cyclohexyl-2-methylpyrrolidin-1-yl)-N,N-diethylpyrimidin-2-amine
SMILESCCN(CC)c1nccc(N2CC(C3CCCCC3)CC2C)n1
InChIInChI=1S/C19H32N4/c1-4-22(5-2)19-20-12-11-18(21-19)23-14-17(13-15(23)3)16-9-7-6-8-10-16/h11-12,15-17H,4-10,13-14H2,1-3H3
InChIKeyCCLXLYBEEDNXBH-UHFFFAOYSA-N
MW316.49 g/mol
LogP4.12
Rot. Bonds5

About 4-(4-cyclohexyl-2-methylpyrrolidin-1-yl)-N,N-diethylpyrimidin-2-amine

4-(4-cyclohexyl-2-methylpyrrolidin-1-yl)-N,N-diethylpyrimidin-2-amine (PubChem CID 166382797) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is 4-(4-cyclohexyl-2-methylpyrrolidin-1-yl)-N,N-diethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-cyclohexyl-2-methylpyrrolidin-1-yl)-N,N-diethylpyrimidin-2-amine
PubChem CID166382797
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC Name4-(4-cyclohexyl-2-methylpyrrolidin-1-yl)-N,N-diethylpyrimidin-2-amine
SMILESCCN(CC)c1nccc(N2CC(C3CCCCC3)CC2C)n1
InChIInChI=1S/C19H32N4/c1-4-22(5-2)19-20-12-11-18(21-19)23-14-17(13-15(23)3)16-9-7-6-8-10-16/h11-12,15-17H,4-10,13-14H2,1-3H3
InChIKeyCCLXLYBEEDNXBH-UHFFFAOYSA-N
XLogP4.12
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexyl-2-methylpyrrolidin-1-yl)-N,N-diethylpyrimidin-2-amine?
The IUPAC name of 4-(4-cyclohexyl-2-methylpyrrolidin-1-yl)-N,N-diethylpyrimidin-2-amine (CID 166382797) is 4-(4-cyclohexyl-2-methylpyrrolidin-1-yl)-N,N-diethylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-cyclohexyl-2-methylpyrrolidin-1-yl)-N,N-diethylpyrimidin-2-amine?
The canonical SMILES for 4-(4-cyclohexyl-2-methylpyrrolidin-1-yl)-N,N-diethylpyrimidin-2-amine is CCN(CC)c1nccc(N2CC(C3CCCCC3)CC2C)n1.
What is the InChIKey of 4-(4-cyclohexyl-2-methylpyrrolidin-1-yl)-N,N-diethylpyrimidin-2-amine?
The InChIKey is CCLXLYBEEDNXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4/c1-4-22(5-2)19-20-12-11-18(21-19)23-14-17(13-15(23)3)16-9-7-6-8-10-16/h11-12,15-17H,4-10,13-14H2,1-3H3.
What are the key properties of 4-(4-cyclohexyl-2-methylpyrrolidin-1-yl)-N,N-diethylpyrimidin-2-amine?
4-(4-cyclohexyl-2-methylpyrrolidin-1-yl)-N,N-diethylpyrimidin-2-amine has a molecular weight of 316.49 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexyl-2-methylpyrrolidin-1-yl)-N,N-diethylpyrimidin-2-amine is sourced from PubChem (CID 166382797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).