4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine

C12H19N5 — CID 19137103

IUPAC4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine
SMILESNc1ncnc(NCCC2=CCCCC2)c1N
InChIInChI=1S/C12H19N5/c13-10-11(14)16-8-17-12(10)15-7-6-9-4-2-1-3-5-9/h4,8H,1-3,5-7,13H2,(H3,14,15,16,17)
InChIKeyXKECLHPPTZRYCX-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.94
Rot. Bonds4

About 4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine

4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine (PubChem CID 19137103) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine
PubChem CID19137103
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine
SMILESNc1ncnc(NCCC2=CCCCC2)c1N
InChIInChI=1S/C12H19N5/c13-10-11(14)16-8-17-12(10)15-7-6-9-4-2-1-3-5-9/h4,8H,1-3,5-7,13H2,(H3,14,15,16,17)
InChIKeyXKECLHPPTZRYCX-UHFFFAOYSA-N
XLogP1.94
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-N-[2-(cyclopenten-1-yl)ethyl]pyrimidine-4,6-diamine
CID 106812320
4-N-[2-(cyclohexen-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4,5-diamine
CID 19137648
4-N-[2-(cyclohexen-1-yl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138370
4-N-[2-(cyclohexen-1-yl)ethyl]quinazoline-4,7-diamine
CID 107846044
4-N-[2-(cyclohexen-1-yl)ethyl]-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138548
6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19143608
4-N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19140440
dimethyl 5-[[5-amino-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547619
6-(benzotriazol-1-yl)-4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5-diamine
CID 19143714
N'-[5-amino-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19143643
4-N-[2-(cyclohexen-1-yl)ethyl]-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141740
N-[2-(cyclohexen-1-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 4525988

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine (CID 19137103) is 4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine is Nc1ncnc(NCCC2=CCCCC2)c1N.
What is the InChIKey of 4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine?
The InChIKey is XKECLHPPTZRYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c13-10-11(14)16-8-17-12(10)15-7-6-9-4-2-1-3-5-9/h4,8H,1-3,5-7,13H2,(H3,14,15,16,17).
What are the key properties of 4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine?
4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine has a molecular weight of 233.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19137103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).