N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C16H23N5 — CID 122564166

IUPACN-[(1-cyclopentylpyrrolidin-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1nc(NCC2CCN(C3CCCC3)C2)c2cc[nH]c2n1
InChIInChI=1S/C16H23N5/c1-2-4-13(3-1)21-8-6-12(10-21)9-18-16-14-5-7-17-15(14)19-11-20-16/h5,7,11-13H,1-4,6,8-10H2,(H2,17,18,19,20)
InChIKeyMZNGABRKGKXAIK-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.63
Rot. Bonds4

About N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 122564166) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrrolidin-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID122564166
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-[(1-cyclopentylpyrrolidin-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1nc(NCC2CCN(C3CCCC3)C2)c2cc[nH]c2n1
InChIInChI=1S/C16H23N5/c1-2-4-13(3-1)21-8-6-12(10-21)9-18-16-14-5-7-17-15(14)19-11-20-16/h5,7,11-13H,1-4,6,8-10H2,(H2,17,18,19,20)
InChIKeyMZNGABRKGKXAIK-UHFFFAOYSA-N
XLogP2.63
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 122564166) is N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is c1nc(NCC2CCN(C3CCCC3)C2)c2cc[nH]c2n1.
What is the InChIKey of N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is MZNGABRKGKXAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-2-4-13(3-1)21-8-6-12(10-21)9-18-16-14-5-7-17-15(14)19-11-20-16/h5,7,11-13H,1-4,6,8-10H2,(H2,17,18,19,20).
What are the key properties of N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrrolidin-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 122564166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).