[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol

C16H17N5OS — CID 50943372

IUPAC[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol
SMILESCc1cnc(-c2ccc(CO)s2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C16H17N5OS/c1-9-7-17-16(13-5-4-11(8-22)23-13)19-15(9)18-14-6-12(20-21-14)10-2-3-10/h4-7,10,22H,2-3,8H2,1H3,(H2,17,18,19,20,21)
InChIKeyOJNDSGFDVRINGQ-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.35
Rot. Bonds5

About [5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol

[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol (PubChem CID 50943372) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is [5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol
PubChem CID50943372
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol
SMILESCc1cnc(-c2ccc(CO)s2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C16H17N5OS/c1-9-7-17-16(13-5-4-11(8-22)23-13)19-15(9)18-14-6-12(20-21-14)10-2-3-10/h4-7,10,22H,2-3,8H2,1H3,(H2,17,18,19,20,21)
InChIKeyOJNDSGFDVRINGQ-UHFFFAOYSA-N
XLogP3.35
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol?
The IUPAC name of [5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol (CID 50943372) is [5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol.
What is the SMILES notation for [5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol?
The canonical SMILES for [5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol is Cc1cnc(-c2ccc(CO)s2)nc1Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of [5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol?
The InChIKey is OJNDSGFDVRINGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-9-7-17-16(13-5-4-11(8-22)23-13)19-15(9)18-14-6-12(20-21-14)10-2-3-10/h4-7,10,22H,2-3,8H2,1H3,(H2,17,18,19,20,21).
What are the key properties of [5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol?
[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol has a molecular weight of 327.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]methanol is sourced from PubChem (CID 50943372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).