3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,2-diol

C12H18N4O2 — CID 70765862

IUPAC3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,2-diol
SMILESCC(C)c1cc(NCC(O)CO)n2nccc2n1
InChIInChI=1S/C12H18N4O2/c1-8(2)10-5-12(13-6-9(18)7-17)16-11(15-10)3-4-14-16/h3-5,8-9,13,17-18H,6-7H2,1-2H3
InChIKeySAYMLZZSDYKIMW-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.62
Rot. Bonds5

About 3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,2-diol

3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,2-diol (PubChem CID 70765862) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,2-diol
PubChem CID70765862
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,2-diol
SMILESCC(C)c1cc(NCC(O)CO)n2nccc2n1
InChIInChI=1S/C12H18N4O2/c1-8(2)10-5-12(13-6-9(18)7-17)16-11(15-10)3-4-14-16/h3-5,8-9,13,17-18H,6-7H2,1-2H3
InChIKeySAYMLZZSDYKIMW-UHFFFAOYSA-N
XLogP0.62
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,2-diol with MolForge

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Related Compounds

Istisociclib
CID 146502834
2170137-61-6 (Free base)
CID 153488764
cis-(1S,3R)-3-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
CID 146502786
1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclobutane-1,3-diamine
CID 146502810
trans-(1S,3S)-3-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
CID 146502817
N-Cyclobutyl-5-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 146502845
cis-(1R,3S)-3-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
CID 146502847
5-propan-2-yl-N-[(3R)-pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 146558381
trans-(1S,3S)-3-N-[5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 146558382
1-methyl-3-[(1R,3R)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]urea
CID 146558632
4-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine
CID 146558727
KK3DY65Fdl
CID 169490936

Frequently Asked Questions

What is the IUPAC name of 3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,2-diol?
The IUPAC name of 3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,2-diol (CID 70765862) is 3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,2-diol is CC(C)c1cc(NCC(O)CO)n2nccc2n1.
What is the InChIKey of 3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,2-diol?
The InChIKey is SAYMLZZSDYKIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8(2)10-5-12(13-6-9(18)7-17)16-11(15-10)3-4-14-16/h3-5,8-9,13,17-18H,6-7H2,1-2H3.
What are the key properties of 3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,2-diol?
3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,2-diol has a molecular weight of 250.30 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propane-1,2-diol is sourced from PubChem (CID 70765862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).