2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]ethanol

C14H22N6O — CID 157017666

IUPAC2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1cnc(Nc2c(C)nn(CCO)c2C)nc1N(C)C
InChIInChI=1S/C14H22N6O/c1-9-8-15-14(17-13(9)19(4)5)16-12-10(2)18-20(6-7-21)11(12)3/h8,21H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyGUWRUFDRAJKLOQ-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.40
Rot. Bonds5

About 2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]ethanol

2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]ethanol (PubChem CID 157017666) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]ethanol
PubChem CID157017666
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1cnc(Nc2c(C)nn(CCO)c2C)nc1N(C)C
InChIInChI=1S/C14H22N6O/c1-9-8-15-14(17-13(9)19(4)5)16-12-10(2)18-20(6-7-21)11(12)3/h8,21H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyGUWRUFDRAJKLOQ-UHFFFAOYSA-N
XLogP1.40
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]ethanol (CID 157017666) is 2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]ethanol is Cc1cnc(Nc2c(C)nn(CCO)c2C)nc1N(C)C.
What is the InChIKey of 2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]ethanol?
The InChIKey is GUWRUFDRAJKLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-9-8-15-14(17-13(9)19(4)5)16-12-10(2)18-20(6-7-21)11(12)3/h8,21H,6-7H2,1-5H3,(H,15,16,17).
What are the key properties of 2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]ethanol?
2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]ethanol has a molecular weight of 290.37 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 157017666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).