4-cyclopentyloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine

C14H20N6O — CID 80844574

IUPAC4-cyclopentyloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC2CCCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C14H20N6O/c1-2-7-16-12-17-13(20-9-8-15-10-20)19-14(18-12)21-11-5-3-4-6-11/h8-11H,2-7H2,1H3,(H,16,17,18,19)
InChIKeyOMFZSAJXFVOONR-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.20
Rot. Bonds6

About 4-cyclopentyloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine

4-cyclopentyloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80844574) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-cyclopentyloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopentyloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
PubChem CID80844574
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name4-cyclopentyloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC2CCCC2)nc(-n2ccnc2)n1
InChIInChI=1S/C14H20N6O/c1-2-7-16-12-17-13(20-9-8-15-10-20)19-14(18-12)21-11-5-3-4-6-11/h8-11H,2-7H2,1H3,(H,16,17,18,19)
InChIKeyOMFZSAJXFVOONR-UHFFFAOYSA-N
XLogP2.20
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

4-cyclopentylsulfanyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 80887756
4-but-3-yn-2-yloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 106795382
4-imidazol-1-yl-N-methyl-6-(oxan-4-yloxy)-1,3,5-triazin-2-amine
CID 80872070
2-N-(2-cyclopentyloxyethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80818639
4-imidazol-1-yl-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine
CID 80870922
4-chloro-6-cyclopentyloxy-N-propyl-1,3,5-triazin-2-amine
CID 80861079
[4-imidazol-1-yl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-yl]hydrazine
CID 80907359
2-N-(cyclobutylmethyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80783009
4-cyclopentyloxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80861941
6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80751147
2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 80773574
2-chloro-4-imidazol-1-yl-6-(3-methylcyclohexyl)oxy-1,3,5-triazine
CID 62869610

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopentyloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine (CID 80844574) is 4-cyclopentyloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopentyloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopentyloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OC2CCCC2)nc(-n2ccnc2)n1.
What is the InChIKey of 4-cyclopentyloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is OMFZSAJXFVOONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-2-7-16-12-17-13(20-9-8-15-10-20)19-14(18-12)21-11-5-3-4-6-11/h8-11H,2-7H2,1H3,(H,16,17,18,19).
What are the key properties of 4-cyclopentyloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine?
4-cyclopentyloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 288.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80844574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).