5-cyclopentyl-N-(6-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C17H25N5 — CID 146365470

IUPAC5-cyclopentyl-N-(6-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1CCC(Nc2ncnc3[nH]cc(C4CCCC4)c23)CN1
InChIInChI=1S/C17H25N5/c1-11-6-7-13(8-18-11)22-17-15-14(12-4-2-3-5-12)9-19-16(15)20-10-21-17/h9-13,18H,2-8H2,1H3,(H2,19,20,21,22)
InChIKeyVQCMJLLAYLNHBQ-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.17
Rot. Bonds3

About 5-cyclopentyl-N-(6-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5-cyclopentyl-N-(6-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 146365470) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 5-cyclopentyl-N-(6-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-cyclopentyl-N-(6-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID146365470
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name5-cyclopentyl-N-(6-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1CCC(Nc2ncnc3[nH]cc(C4CCCC4)c23)CN1
InChIInChI=1S/C17H25N5/c1-11-6-7-13(8-18-11)22-17-15-14(12-4-2-3-5-12)9-19-16(15)20-10-21-17/h9-13,18H,2-8H2,1H3,(H2,19,20,21,22)
InChIKeyVQCMJLLAYLNHBQ-UHFFFAOYSA-N
XLogP3.17
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;methanamine
CID 142616565
4-N,4-N-dimethyl-1-N-[5-[(3R)-oxolan-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine
CID 170088529
1-[3-[(5-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one;methoxymethane
CID 153403468
(Z)-1-[(3R)-3-[[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]but-2-en-1-one
CID 177243206
(E)-1-[(2S,5R)-5-[[5-[(1S)-2,2-difluorocyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]but-2-en-1-one
CID 146343672
5-(1-cyclopropylethyl)-N-[(3R)-piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 146343753
1-[4-[[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 177242983
1-[(2S,5R)-5-[[5-[(1R)-2,2-difluorocyclopropyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 166016262
3-[2-(methoxymethyl)cyclopropyl]-N-[(3R,6S)-6-methylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 146343689
3-[2-(methoxymethyl)cyclopropyl]-N-[(3R)-6-methylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 153403473
1-[(3R,5R)-3-fluoro-5-[[5-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 177243276
N-cyclohexyl-5-(3,5-dichloro-4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 153397118

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-(6-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-cyclopentyl-N-(6-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 146365470) is 5-cyclopentyl-N-(6-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-cyclopentyl-N-(6-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-cyclopentyl-N-(6-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC1CCC(Nc2ncnc3[nH]cc(C4CCCC4)c23)CN1.
What is the InChIKey of 5-cyclopentyl-N-(6-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is VQCMJLLAYLNHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-11-6-7-13(8-18-11)22-17-15-14(12-4-2-3-5-12)9-19-16(15)20-10-21-17/h9-13,18H,2-8H2,1H3,(H2,19,20,21,22).
What are the key properties of 5-cyclopentyl-N-(6-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5-cyclopentyl-N-(6-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 299.42 g/mol, XLogP of 3.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-N-(6-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 146365470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).