4-cycloheptyl-6-(6-methyl-2-pyridinyl)-1,3,5-triazin-2-amine

C16H21N5 — CID 63867330

IUPAC4-cycloheptyl-6-(6-methyl-2-pyridinyl)-1,3,5-triazin-2-amine
SMILESCc1cccc(-c2nc(N)nc(C3CCCCCC3)n2)n1
InChIInChI=1S/C16H21N5/c1-11-7-6-10-13(18-11)15-19-14(20-16(17)21-15)12-8-4-2-3-5-9-12/h6-7,10,12H,2-5,8-9H2,1H3,(H2,17,19,20,21)
InChIKeyKMJDWIZJIXAQHC-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.26
Rot. Bonds2

About 4-cycloheptyl-6-(6-methyl-2-pyridinyl)-1,3,5-triazin-2-amine

4-cycloheptyl-6-(6-methyl-2-pyridinyl)-1,3,5-triazin-2-amine (PubChem CID 63867330) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-cycloheptyl-6-(6-methyl-2-pyridinyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cycloheptyl-6-(6-methyl-2-pyridinyl)-1,3,5-triazin-2-amine
PubChem CID63867330
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name4-cycloheptyl-6-(6-methyl-2-pyridinyl)-1,3,5-triazin-2-amine
SMILESCc1cccc(-c2nc(N)nc(C3CCCCCC3)n2)n1
InChIInChI=1S/C16H21N5/c1-11-7-6-10-13(18-11)15-19-14(20-16(17)21-15)12-8-4-2-3-5-9-12/h6-7,10,12H,2-5,8-9H2,1H3,(H2,17,19,20,21)
InChIKeyKMJDWIZJIXAQHC-UHFFFAOYSA-N
XLogP3.26
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-6-(6-methyl-2-pyridinyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cycloheptyl-6-(6-methyl-2-pyridinyl)-1,3,5-triazin-2-amine (CID 63867330) is 4-cycloheptyl-6-(6-methyl-2-pyridinyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cycloheptyl-6-(6-methyl-2-pyridinyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cycloheptyl-6-(6-methyl-2-pyridinyl)-1,3,5-triazin-2-amine is Cc1cccc(-c2nc(N)nc(C3CCCCCC3)n2)n1.
What is the InChIKey of 4-cycloheptyl-6-(6-methyl-2-pyridinyl)-1,3,5-triazin-2-amine?
The InChIKey is KMJDWIZJIXAQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-11-7-6-10-13(18-11)15-19-14(20-16(17)21-15)12-8-4-2-3-5-9-12/h6-7,10,12H,2-5,8-9H2,1H3,(H2,17,19,20,21).
What are the key properties of 4-cycloheptyl-6-(6-methyl-2-pyridinyl)-1,3,5-triazin-2-amine?
4-cycloheptyl-6-(6-methyl-2-pyridinyl)-1,3,5-triazin-2-amine has a molecular weight of 283.38 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-6-(6-methyl-2-pyridinyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63867330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).