4-[5-(oxan-2-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine

C15H21N5O — CID 44591706

IUPAC4-[5-(oxan-2-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(-c2cn[nH]c2C2CCCCO2)n1
InChIInChI=1S/C15H21N5O/c1-10(2)18-15-16-7-6-12(19-15)11-9-17-20-14(11)13-5-3-4-8-21-13/h6-7,9-10,13H,3-5,8H2,1-2H3,(H,17,20)(H,16,18,19)
InChIKeyKERUCRORJGZBIT-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.93
Rot. Bonds4

About 4-[5-(oxan-2-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine

4-[5-(oxan-2-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine (PubChem CID 44591706) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-[5-(oxan-2-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(oxan-2-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
PubChem CID44591706
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name4-[5-(oxan-2-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(-c2cn[nH]c2C2CCCCO2)n1
InChIInChI=1S/C15H21N5O/c1-10(2)18-15-16-7-6-12(19-15)11-9-17-20-14(11)13-5-3-4-8-21-13/h6-7,9-10,13H,3-5,8H2,1-2H3,(H,17,20)(H,16,18,19)
InChIKeyKERUCRORJGZBIT-UHFFFAOYSA-N
XLogP2.93
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Cyclohexanol, 4-[[4-[3-(tetrahydro-2H-pyran-3-yl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]-, trans-
CID 44138038
N-isopropyl-4-(3-(tetrahydro-2H-pyran-3-yl)-1H-pyrazol-4-yl)pyrimidin-2-amine
CID 44591707
N-isopropyl-4-(3-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)pyrimidin-2-amine
CID 44591735
N-cyclopentyl-4-(3-(tetrahydro-2H-pyran-3-yl)-1H-pyrazol-4-yl)pyrimidin-2-amine
CID 44591739
3-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyrazol-3-yl)cyclohexanol
CID 44591767
N-[1-(2-methoxyethyl)piperidin-4-yl]-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyrimidin-2-amine
CID 155513601
4-(1-methyl-1H-pyrazol-4-yl)-N-(tetrahydro-2H-pyran-2-ylmethyl)pyrimidin-2-amine
CID 45232180
4-[(2S)-oxolan-2-yl]-N-propan-2-yl-5-pyridin-4-ylpyrimidin-2-amine
CID 73945459
N-cyclopropyl-4-[(2R)-oxolan-2-yl]-5-pyridin-4-ylpyrimidin-2-amine
CID 95857479
N-cyclopropyl-4-[(2S)-oxolan-2-yl]-5-(pyridin-4-yl)pyrimidin-2-amine
CID 95857481
2-(4-methyl-1H-pyrazol-5-yl)-4-pyrimidin-2-ylmorpholine
CID 110269334
4-[(2-Methylpyrazol-3-yl)methyl]-2-(5-pyrimidin-5-yl-2-pyridinyl)morpholine
CID 118739858

Frequently Asked Questions

What is the IUPAC name of 4-[5-(oxan-2-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[5-(oxan-2-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine (CID 44591706) is 4-[5-(oxan-2-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-(oxan-2-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[5-(oxan-2-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine is CC(C)Nc1nccc(-c2cn[nH]c2C2CCCCO2)n1.
What is the InChIKey of 4-[5-(oxan-2-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is KERUCRORJGZBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10(2)18-15-16-7-6-12(19-15)11-9-17-20-14(11)13-5-3-4-8-21-13/h6-7,9-10,13H,3-5,8H2,1-2H3,(H,17,20)(H,16,18,19).
What are the key properties of 4-[5-(oxan-2-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine?
4-[5-(oxan-2-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 287.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(oxan-2-yl)-1H-pyrazol-4-yl]-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 44591706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).