N-(2,2-dimethylcyclohexyl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C16H24N4 — CID 167960214

IUPACN-(2,2-dimethylcyclohexyl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1c[nH]c2ncnc(NC3CCCCC3(C)C)c12
InChIInChI=1S/C16H24N4/c1-4-11-9-17-14-13(11)15(19-10-18-14)20-12-7-5-6-8-16(12,2)3/h9-10,12H,4-8H2,1-3H3,(H2,17,18,19,20)
InChIKeyANHXVZCPRXGXSJ-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.90
Rot. Bonds3

About N-(2,2-dimethylcyclohexyl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(2,2-dimethylcyclohexyl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 167960214) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID167960214
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-(2,2-dimethylcyclohexyl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1c[nH]c2ncnc(NC3CCCCC3(C)C)c12
InChIInChI=1S/C16H24N4/c1-4-11-9-17-14-13(11)15(19-10-18-14)20-12-7-5-6-8-16(12,2)3/h9-10,12H,4-8H2,1-3H3,(H2,17,18,19,20)
InChIKeyANHXVZCPRXGXSJ-UHFFFAOYSA-N
XLogP3.90
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1-N,1-N,1-trimethylcyclohexane-1,4-diamine
CID 167793726
5-ethyl-N-(4-methoxy-4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167913724
N-(2,2-dimethylcyclohexyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80929258
cis-(1R,2S)-2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol
CID 167830463
N-(2,2-dimethylcyclopentyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80929757
N-(5,5-dimethyloxolan-3-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167967827
[2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]spiro[3.5]nonan-7-yl]methanol
CID 167971272
5-ethyl-N-(8-oxaspiro[4.5]decan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167799843
4-N-(2,2-dimethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80850251
6-chloro-4-N-(2,2-dimethylcyclohexyl)pyrimidine-4,5-diamine
CID 79862142
5-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167897143
N-[(2-tert-butyloxolan-2-yl)methyl]-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167865422

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 167960214) is N-(2,2-dimethylcyclohexyl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCc1c[nH]c2ncnc(NC3CCCCC3(C)C)c12.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ANHXVZCPRXGXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-4-11-9-17-14-13(11)15(19-10-18-14)20-12-7-5-6-8-16(12,2)3/h9-10,12H,4-8H2,1-3H3,(H2,17,18,19,20).
What are the key properties of N-(2,2-dimethylcyclohexyl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(2,2-dimethylcyclohexyl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 272.40 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 167960214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).