2-[4-[(5-bromo-6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pyrazol-1-yl]ethanol

C13H18BrN5O — CID 146145489

IUPAC2-[4-[(5-bromo-6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pyrazol-1-yl]ethanol
SMILESCc1nc(C(C)C)nc(Nc2cnn(CCO)c2)c1Br
InChIInChI=1S/C13H18BrN5O/c1-8(2)12-16-9(3)11(14)13(18-12)17-10-6-15-19(7-10)4-5-20/h6-8,20H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyJTPUDTXRPASHLE-UHFFFAOYSA-N
MW340.23 g/mol
LogP2.60
Rot. Bonds5

About 2-[4-[(5-bromo-6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pyrazol-1-yl]ethanol

2-[4-[(5-bromo-6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pyrazol-1-yl]ethanol (PubChem CID 146145489) has the molecular formula C13H18BrN5O and a molecular weight of 340.23 g/mol. Its IUPAC name is 2-[4-[(5-bromo-6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(5-bromo-6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pyrazol-1-yl]ethanol
PubChem CID146145489
Molecular FormulaC13H18BrN5O
Molecular Weight340.23 g/mol
Exact Mass339.07
IUPAC Name2-[4-[(5-bromo-6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pyrazol-1-yl]ethanol
SMILESCc1nc(C(C)C)nc(Nc2cnn(CCO)c2)c1Br
InChIInChI=1S/C13H18BrN5O/c1-8(2)12-16-9(3)11(14)13(18-12)17-10-6-15-19(7-10)4-5-20/h6-8,20H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyJTPUDTXRPASHLE-UHFFFAOYSA-N
XLogP2.60
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(5-bromo-6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pyrazol-1-yl]ethanol with MolForge

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Related Compounds

5-bromo-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 146145487
2-[4-[(5-methylpyrimidin-2-yl)amino]pyrazol-1-yl]ethanol
CID 141287434
2-[4-[1-(4-bromo-3-methylphenyl)ethylamino]pyrazol-1-yl]ethanol
CID 110011576
2-[4-(2-methylpropylamino)pyrazol-1-yl]ethanol;hydrochloride
CID 126964216
2-[4-(butan-2-ylamino)pyrazol-1-yl]ethanol
CID 115922691
ethane;2-[4-(methylamino)pyrazol-1-yl]ethanol
CID 171834591
5-methyl-4-N-(1-methylpyrazol-4-yl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80991736
5-bromo-N-(2-imidazol-1-ylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 146145450
2-[4-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol
CID 133272554
1-(3-bromo-4-methylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111111691
N-(1-cyanoethyl)-4-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-5-methylpyrimidin-4-yl]benzamide
CID 165161627
2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 110928879

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromo-6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(5-bromo-6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pyrazol-1-yl]ethanol (CID 146145489) is 2-[4-[(5-bromo-6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(5-bromo-6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(5-bromo-6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pyrazol-1-yl]ethanol is Cc1nc(C(C)C)nc(Nc2cnn(CCO)c2)c1Br.
What is the InChIKey of 2-[4-[(5-bromo-6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pyrazol-1-yl]ethanol?
The InChIKey is JTPUDTXRPASHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5O/c1-8(2)12-16-9(3)11(14)13(18-12)17-10-6-15-19(7-10)4-5-20/h6-8,20H,4-5H2,1-3H3,(H,16,17,18).
What are the key properties of 2-[4-[(5-bromo-6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pyrazol-1-yl]ethanol?
2-[4-[(5-bromo-6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pyrazol-1-yl]ethanol has a molecular weight of 340.23 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-bromo-6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 146145489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).