N-(3,3-dimethylcyclohexyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C15H22N4 — CID 23002360

IUPACN-(3,3-dimethylcyclohexyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCN(c1ncc2cc[nH]c2n1)C1CCCC(C)(C)C1
InChIInChI=1S/C15H22N4/c1-15(2)7-4-5-12(9-15)19(3)14-17-10-11-6-8-16-13(11)18-14/h6,8,10,12H,4-5,7,9H2,1-3H3,(H,16,17,18)
InChIKeyISKLOHCZPKXMMG-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.36
Rot. Bonds2

About N-(3,3-dimethylcyclohexyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

N-(3,3-dimethylcyclohexyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 23002360) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(3,3-dimethylcyclohexyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclohexyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID23002360
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-(3,3-dimethylcyclohexyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCN(c1ncc2cc[nH]c2n1)C1CCCC(C)(C)C1
InChIInChI=1S/C15H22N4/c1-15(2)7-4-5-12(9-15)19(3)14-17-10-11-6-8-16-13(11)18-14/h6,8,10,12H,4-5,7,9H2,1-3H3,(H,16,17,18)
InChIKeyISKLOHCZPKXMMG-UHFFFAOYSA-N
XLogP3.36
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclohexyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-(3,3-dimethylcyclohexyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 23002360) is N-(3,3-dimethylcyclohexyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(3,3-dimethylcyclohexyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(3,3-dimethylcyclohexyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CN(c1ncc2cc[nH]c2n1)C1CCCC(C)(C)C1.
What is the InChIKey of N-(3,3-dimethylcyclohexyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is ISKLOHCZPKXMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-15(2)7-4-5-12(9-15)19(3)14-17-10-11-6-8-16-13(11)18-14/h6,8,10,12H,4-5,7,9H2,1-3H3,(H,16,17,18).
What are the key properties of N-(3,3-dimethylcyclohexyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
N-(3,3-dimethylcyclohexyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 258.37 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclohexyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 23002360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).