(2-pentan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine

C12H18N4 — CID 103316187

IUPAC(2-pentan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine
SMILESCCCC(C)c1cc2nccc(CN)n2n1
InChIInChI=1S/C12H18N4/c1-3-4-9(2)11-7-12-14-6-5-10(8-13)16(12)15-11/h5-7,9H,3-4,8,13H2,1-2H3
InChIKeyXSUIWCHFCREISE-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.09
Rot. Bonds4

About (2-pentan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine

(2-pentan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine (PubChem CID 103316187) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is (2-pentan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine.

Molecular Properties

Compound Name(2-pentan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine
PubChem CID103316187
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name(2-pentan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine
SMILESCCCC(C)c1cc2nccc(CN)n2n1
InChIInChI=1S/C12H18N4/c1-3-4-9(2)11-7-12-14-6-5-10(8-13)16(12)15-11/h5-7,9H,3-4,8,13H2,1-2H3
InChIKeyXSUIWCHFCREISE-UHFFFAOYSA-N
XLogP2.09
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Istisociclib
CID 146502834
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
2,3-dimethyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)pyrazolo[1,5-a]pyrimidine
CID 75201365
5-(Piperidin-3-yl)-3-(prop-1-enyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16046077
5-(Piperidin-3-yl)-3-(prop-1-ynyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224560
N-ethyl-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53321363
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53321632
8-Pyrrolidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 53321947
8-Piperidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 53324629
10-Azetidin-1-yl-6,7,8,9-tetrahydro-5H-1,4,7,10a-tetraaza-cyclohepta[f]indene
CID 53325935
3-Bromo-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53325998
5-(Piperidin-3-yl)-3-(pyrazin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53326009

Frequently Asked Questions

What is the IUPAC name of (2-pentan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine?
The IUPAC name of (2-pentan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine (CID 103316187) is (2-pentan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine.
What is the SMILES notation for (2-pentan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine?
The canonical SMILES for (2-pentan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine is CCCC(C)c1cc2nccc(CN)n2n1.
What is the InChIKey of (2-pentan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine?
The InChIKey is XSUIWCHFCREISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-4-9(2)11-7-12-14-6-5-10(8-13)16(12)15-11/h5-7,9H,3-4,8,13H2,1-2H3.
What are the key properties of (2-pentan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine?
(2-pentan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine has a molecular weight of 218.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pentan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)methanamine is sourced from PubChem (CID 103316187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).