N-methyl-N-(4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C14H20N4 — CID 22484511

IUPACN-methyl-N-(4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C14H20N4/c1-10-3-5-11(6-4-10)18(2)14-12-7-8-15-13(12)16-9-17-14/h7-11H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyVPKQGLHLFZPKJP-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.97
Rot. Bonds2

About N-methyl-N-(4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-methyl-N-(4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 22484511) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID22484511
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-methyl-N-(4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1CCC(N(C)c2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C14H20N4/c1-10-3-5-11(6-4-10)18(2)14-12-7-8-15-13(12)16-9-17-14/h7-11H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyVPKQGLHLFZPKJP-UHFFFAOYSA-N
XLogP2.97
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 22484511) is N-methyl-N-(4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is VPKQGLHLFZPKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10-3-5-11(6-4-10)18(2)14-12-7-8-15-13(12)16-9-17-14/h7-11H,3-6H2,1-2H3,(H,15,16,17).
What are the key properties of N-methyl-N-(4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-methyl-N-(4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 244.34 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 22484511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).