4-cycloheptyl-6-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine

C16H21N5 — CID 63868638

IUPAC4-cycloheptyl-6-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cc2cccnc2)nc(C2CCCCCC2)n1
InChIInChI=1S/C16H21N5/c17-16-20-14(10-12-6-5-9-18-11-12)19-15(21-16)13-7-3-1-2-4-8-13/h5-6,9,11,13H,1-4,7-8,10H2,(H2,17,19,20,21)
InChIKeyYKSRDYUIPAZKCV-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.88
Rot. Bonds3

About 4-cycloheptyl-6-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine

4-cycloheptyl-6-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 63868638) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-cycloheptyl-6-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cycloheptyl-6-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID63868638
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name4-cycloheptyl-6-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cc2cccnc2)nc(C2CCCCCC2)n1
InChIInChI=1S/C16H21N5/c17-16-20-14(10-12-6-5-9-18-11-12)19-15(21-16)13-7-3-1-2-4-8-13/h5-6,9,11,13H,1-4,7-8,10H2,(H2,17,19,20,21)
InChIKeyYKSRDYUIPAZKCV-UHFFFAOYSA-N
XLogP2.88
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681587
4-cyclopentyl-6-[(3,5-dimethylphenyl)methyl]-1,3,5-triazin-2-amine
CID 63867001
4-cyclopentyl-6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazin-2-amine
CID 63868750
4-cycloheptyl-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine
CID 63867175
4-cycloheptyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 63868369
4-cyclopentyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 63867162
4-cyclopentyl-6-(phenylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 65143793
4-cycloheptyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazin-2-amine
CID 63868503
4-cyclohexyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 63867780
4-(pyridin-3-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 104737196
4-cycloheptyl-6-(cyclopentylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 65140552
4-(cyclohexylsulfanylmethyl)-6-cyclopentyl-1,3,5-triazin-2-amine
CID 65144232

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-6-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cycloheptyl-6-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine (CID 63868638) is 4-cycloheptyl-6-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cycloheptyl-6-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cycloheptyl-6-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine is Nc1nc(Cc2cccnc2)nc(C2CCCCCC2)n1.
What is the InChIKey of 4-cycloheptyl-6-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is YKSRDYUIPAZKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c17-16-20-14(10-12-6-5-9-18-11-12)19-15(21-16)13-7-3-1-2-4-8-13/h5-6,9,11,13H,1-4,7-8,10H2,(H2,17,19,20,21).
What are the key properties of 4-cycloheptyl-6-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine?
4-cycloheptyl-6-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 283.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-6-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).