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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Related Compounds

6-(4-((4-Ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 10297043
1H-Pyrrolo(2,3-b)pyridine
CID 9222
Rolodine
CID 5359646
7-benzyl-5,6-dimethyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 3000181
4-(1H-Pyrrolo[2,3-B]pyridin-3-YL)pyrimidin-2-amine
CID 11637090
N-phenyl-9H-pyrimido[4,5-b]indol-4-amine
CID 5328391
6-[4-[(4-Ethyl-1-piperazinyl)methyl]phenyl]-N-[(1S)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 16035342
6-(2-{3-(Aminomethyl)-5-[2-(1h-Pyrrolo[2,3-B]pyridin-6-Yl)ethyl]phenyl}ethyl)-4-Methylpyridin-2-Amine
CID 86346622
N-phenyl-1H-pyrrolo(2,3-b)pyridin-3-amine
CID 24180721
trans-N1-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl)cyclohexane-1,4-diamine
CID 44415997
N-(3-Fluoropyridin-4-YL)-2-(6-methylpyridin-2-YL)-7H-pyrrolo[2,3-D]pyrimidin-4-amine
CID 126537506
5-(2-amino-4-pyridinyl)-N-benzyl-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 135283795

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).