N-[(1S)-1-cyclobutylpentyl]-4-pyrazol-1-ylpyrimidin-2-amine

C16H23N5 — CID 96539265

IUPACN-[(1S)-1-cyclobutylpentyl]-4-pyrazol-1-ylpyrimidin-2-amine
SMILESCCCC[C@H](Nc1nccc(-n2cccn2)n1)C1CCC1
InChIInChI=1S/C16H23N5/c1-2-3-8-14(13-6-4-7-13)19-16-17-11-9-15(20-16)21-12-5-10-18-21/h5,9-14H,2-4,6-8H2,1H3,(H,17,19,20)/t14-/m0/s1
InChIKeyVHSBPLWKIGCKHM-AWEZNQCLSA-N
MW285.39 g/mol
LogP3.43
Rot. Bonds7

About N-[(1S)-1-cyclobutylpentyl]-4-pyrazol-1-ylpyrimidin-2-amine

N-[(1S)-1-cyclobutylpentyl]-4-pyrazol-1-ylpyrimidin-2-amine (PubChem CID 96539265) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(1S)-1-cyclobutylpentyl]-4-pyrazol-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclobutylpentyl]-4-pyrazol-1-ylpyrimidin-2-amine
PubChem CID96539265
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-[(1S)-1-cyclobutylpentyl]-4-pyrazol-1-ylpyrimidin-2-amine
SMILESCCCC[C@H](Nc1nccc(-n2cccn2)n1)C1CCC1
InChIInChI=1S/C16H23N5/c1-2-3-8-14(13-6-4-7-13)19-16-17-11-9-15(20-16)21-12-5-10-18-21/h5,9-14H,2-4,6-8H2,1H3,(H,17,19,20)/t14-/m0/s1
InChIKeyVHSBPLWKIGCKHM-AWEZNQCLSA-N
XLogP3.43
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclobutylpentyl]-4-pyrazol-1-ylpyrimidin-2-amine?
The IUPAC name of N-[(1S)-1-cyclobutylpentyl]-4-pyrazol-1-ylpyrimidin-2-amine (CID 96539265) is N-[(1S)-1-cyclobutylpentyl]-4-pyrazol-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(1S)-1-cyclobutylpentyl]-4-pyrazol-1-ylpyrimidin-2-amine?
The canonical SMILES for N-[(1S)-1-cyclobutylpentyl]-4-pyrazol-1-ylpyrimidin-2-amine is CCCC[C@H](Nc1nccc(-n2cccn2)n1)C1CCC1.
What is the InChIKey of N-[(1S)-1-cyclobutylpentyl]-4-pyrazol-1-ylpyrimidin-2-amine?
The InChIKey is VHSBPLWKIGCKHM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N5/c1-2-3-8-14(13-6-4-7-13)19-16-17-11-9-15(20-16)21-12-5-10-18-21/h5,9-14H,2-4,6-8H2,1H3,(H,17,19,20)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-cyclobutylpentyl]-4-pyrazol-1-ylpyrimidin-2-amine?
N-[(1S)-1-cyclobutylpentyl]-4-pyrazol-1-ylpyrimidin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclobutylpentyl]-4-pyrazol-1-ylpyrimidin-2-amine is sourced from PubChem (CID 96539265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).