4-(4-propylpyrimidin-2-yl)cyclohexan-1-amine

C13H21N3 — CID 116899107

IUPAC4-(4-propylpyrimidin-2-yl)cyclohexan-1-amine
SMILESCCCc1ccnc(C2CCC(N)CC2)n1
InChIInChI=1S/C13H21N3/c1-2-3-12-8-9-15-13(16-12)10-4-6-11(14)7-5-10/h8-11H,2-7,14H2,1H3
InChIKeyQNSLSWOHQAHOBM-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.41
Rot. Bonds3

About 4-(4-propylpyrimidin-2-yl)cyclohexan-1-amine

4-(4-propylpyrimidin-2-yl)cyclohexan-1-amine (PubChem CID 116899107) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(4-propylpyrimidin-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-propylpyrimidin-2-yl)cyclohexan-1-amine
PubChem CID116899107
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-(4-propylpyrimidin-2-yl)cyclohexan-1-amine
SMILESCCCc1ccnc(C2CCC(N)CC2)n1
InChIInChI=1S/C13H21N3/c1-2-3-12-8-9-15-13(16-12)10-4-6-11(14)7-5-10/h8-11H,2-7,14H2,1H3
InChIKeyQNSLSWOHQAHOBM-UHFFFAOYSA-N
XLogP2.41
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-ethylcyclopentyl)pyrimidin-4-yl]ethanamine
CID 65403501
1-(4-propylpyrimidin-2-yl)piperidin-4-amine
CID 117224317
2-cyclododecyl-4-ethylpyrimidine
CID 134492338
N-[[2-(4-ethylcyclohexyl)pyrimidin-4-yl]methyl]-2-methylpropan-2-amine
CID 65389946
4-(2-cyclopropylpyrimidin-4-yl)butanoic acid
CID 83857577
4-(4-ethylpyrimidin-2-yl)cyclohexan-1-one
CID 116901988
4-[4-(4-bromophenyl)pyrimidin-2-yl]cyclohexan-1-amine
CID 116899111
3-[4-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116899145
2-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine
CID 65391328
1-(2-cyclobutylpyrimidin-4-yl)-N-methylmethanamine
CID 64985841
2-methoxy-N-[[2-(4-propylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine
CID 65403205
2-propan-2-yl-4-propylpyrimidine
CID 58111235

Frequently Asked Questions

What is the IUPAC name of 4-(4-propylpyrimidin-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-(4-propylpyrimidin-2-yl)cyclohexan-1-amine (CID 116899107) is 4-(4-propylpyrimidin-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(4-propylpyrimidin-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(4-propylpyrimidin-2-yl)cyclohexan-1-amine is CCCc1ccnc(C2CCC(N)CC2)n1.
What is the InChIKey of 4-(4-propylpyrimidin-2-yl)cyclohexan-1-amine?
The InChIKey is QNSLSWOHQAHOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-3-12-8-9-15-13(16-12)10-4-6-11(14)7-5-10/h8-11H,2-7,14H2,1H3.
What are the key properties of 4-(4-propylpyrimidin-2-yl)cyclohexan-1-amine?
4-(4-propylpyrimidin-2-yl)cyclohexan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylpyrimidin-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 116899107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).