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

C11H16N4 — CID 110430105

IUPAC6-methyl-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCC(C)C)ncnc2[nH]1
InChIInChI=1S/C11H16N4/c1-7(2)5-12-10-9-4-8(3)15-11(9)14-6-13-10/h4,6-7H,5H2,1-3H3,(H2,12,13,14,15)
InChIKeyTUKHFCFNWJWLAL-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.33
Rot. Bonds3

About 6-methyl-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

6-methyl-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110430105) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 6-methyl-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110430105
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name6-methyl-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCC(C)C)ncnc2[nH]1
InChIInChI=1S/C11H16N4/c1-7(2)5-12-10-9-4-8(3)15-11(9)14-6-13-10/h4,6-7H,5H2,1-3H3,(H2,12,13,14,15)
InChIKeyTUKHFCFNWJWLAL-UHFFFAOYSA-N
XLogP2.33
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110430105) is 6-methyl-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cc2c(NCC(C)C)ncnc2[nH]1.
What is the InChIKey of 6-methyl-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is TUKHFCFNWJWLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-7(2)5-12-10-9-4-8(3)15-11(9)14-6-13-10/h4,6-7H,5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 6-methyl-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-methyl-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 204.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110430105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).