1-[2-(4-propylcyclohexyl)pyrimidin-5-yl]propan-2-amine

C16H27N3 — CID 65401591

IUPAC1-[2-(4-propylcyclohexyl)pyrimidin-5-yl]propan-2-amine
SMILESCCCC1CCC(c2ncc(CC(C)N)cn2)CC1
InChIInChI=1S/C16H27N3/c1-3-4-13-5-7-15(8-6-13)16-18-10-14(11-19-16)9-12(2)17/h10-13,15H,3-9,17H2,1-2H3
InChIKeyLJZNXBYTDRCMBR-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.44
Rot. Bonds5

About 1-[2-(4-propylcyclohexyl)pyrimidin-5-yl]propan-2-amine

1-[2-(4-propylcyclohexyl)pyrimidin-5-yl]propan-2-amine (PubChem CID 65401591) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[2-(4-propylcyclohexyl)pyrimidin-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(4-propylcyclohexyl)pyrimidin-5-yl]propan-2-amine
PubChem CID65401591
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-[2-(4-propylcyclohexyl)pyrimidin-5-yl]propan-2-amine
SMILESCCCC1CCC(c2ncc(CC(C)N)cn2)CC1
InChIInChI=1S/C16H27N3/c1-3-4-13-5-7-15(8-6-13)16-18-10-14(11-19-16)9-12(2)17/h10-13,15H,3-9,17H2,1-2H3
InChIKeyLJZNXBYTDRCMBR-UHFFFAOYSA-N
XLogP3.44
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]pyrimidine
CID 19839806
1-[2-(4,4-dimethylcyclohexyl)pyrimidin-5-yl]propan-2-amine
CID 65389494
5-(methoxymethyl)-2-(4-propylcyclohexyl)pyrimidine
CID 19839813
1-[4-methyl-2-(4-propylcyclohexyl)pyrimidin-5-yl]ethanamine
CID 65401995
2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]-5-ethylpyrimidine
CID 19839626
1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65423654
4-(4-propylcyclohexyl)-1,3,5-triazin-2-amine
CID 65400793
1-[2-(2,2-dimethylcyclopropyl)pyrimidin-5-yl]propan-2-amine
CID 107924265
2-[4-[(E)-2-chloroethenyl]cyclohexyl]-5-(4-propylcyclohexyl)pyrimidine
CID 18656269
1-[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]propan-2-amine
CID 65405840
4-methyl-5-propyl-2-(4-propylcyclohexyl)pyrimidine
CID 70493707
1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65422874

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propylcyclohexyl)pyrimidin-5-yl]propan-2-amine?
The IUPAC name of 1-[2-(4-propylcyclohexyl)pyrimidin-5-yl]propan-2-amine (CID 65401591) is 1-[2-(4-propylcyclohexyl)pyrimidin-5-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(4-propylcyclohexyl)pyrimidin-5-yl]propan-2-amine?
The canonical SMILES for 1-[2-(4-propylcyclohexyl)pyrimidin-5-yl]propan-2-amine is CCCC1CCC(c2ncc(CC(C)N)cn2)CC1.
What is the InChIKey of 1-[2-(4-propylcyclohexyl)pyrimidin-5-yl]propan-2-amine?
The InChIKey is LJZNXBYTDRCMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-4-13-5-7-15(8-6-13)16-18-10-14(11-19-16)9-12(2)17/h10-13,15H,3-9,17H2,1-2H3.
What are the key properties of 1-[2-(4-propylcyclohexyl)pyrimidin-5-yl]propan-2-amine?
1-[2-(4-propylcyclohexyl)pyrimidin-5-yl]propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propylcyclohexyl)pyrimidin-5-yl]propan-2-amine is sourced from PubChem (CID 65401591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).