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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Related Compounds

N-octylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 12366057
1-Cyclohexyl-3-(6-pyrazol-1-ylpyrimidin-4-yl)thiourea
CID 134156810
N-Propyl-6-(1H-pyrazol-1-YL)pyrimidin-4-amine
CID 53015218
N-ethyl-6-(1H-pyrazol-1-yl)pyrimidin-4-amine
CID 53015219
5-N-(4-aminocyclohexyl)-7-N-(3-methylbutyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 71453355
5-N-(4-aminocyclohexyl)-7-N-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 71462243
4-N-(dicyclopropylmethyl)-6-pyrazol-1-ylpyrimidine-4,5-diamine
CID 71850434
N-(cyclooctylmethyl)-6-pyrazol-1-ylpyrazin-2-amine
CID 71891701
4-(2-Pentan-2-ylpyrrolidin-1-yl)-6-pyrazol-1-ylpyrimidin-2-amine
CID 75441014
4-N,4-N,5-trimethyl-2-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]pyrimidine-2,4-diamine
CID 95128656
N-methyl-6-[(3R)-3-[(2-pyrazol-1-ylethylamino)methyl]piperidin-1-yl]pyrimidin-4-amine
CID 95334725
4-N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-6-pyrazol-1-ylpyrimidine-2,4-diamine
CID 97821405

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).