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

C17H19N5OS — CID 50943610

IUPAC(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]ethanol
SMILESCc1cnc(-c2ccc([C@H](C)O)s2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C17H19N5OS/c1-9-8-18-17(14-6-5-13(24-14)10(2)23)20-16(9)19-15-7-12(21-22-15)11-3-4-11/h5-8,10-11,23H,3-4H2,1-2H3,(H2,18,19,20,21,22)/t10-/m0/s1
InChIKeyCKJYOGMOVODTAS-JTQLQIEISA-N
MW341.44 g/mol
LogP3.91
Rot. Bonds5

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

(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]ethanol (PubChem CID 50943610) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is (1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]ethanol
PubChem CID50943610
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]ethanol
SMILESCc1cnc(-c2ccc([C@H](C)O)s2)nc1Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C17H19N5OS/c1-9-8-18-17(14-6-5-13(24-14)10(2)23)20-16(9)19-15-7-12(21-22-15)11-3-4-11/h5-8,10-11,23H,3-4H2,1-2H3,(H2,18,19,20,21,22)/t10-/m0/s1
InChIKeyCKJYOGMOVODTAS-JTQLQIEISA-N
XLogP3.91
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]methanol
CID 50943288
[6-tert-butyl-4-(1H-pyrazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]-(4-fluorophenyl)methanol
CID 56928654
(S)-1-(5-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoropyrimidin-2-yl)thiophen-2yl)ethanol
CID 58169323
(R)-1-(5-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoropyrimidin-2-yl)thiophen-2-yl)ethanol
CID 58169431
racemic 1-(5-(4-(5-cyclopropyl-1H-pyrazol-3-ylamino)-5-fluoropyrimidin-2-yl)thiophen-2-yl)ethanol
CID 58169468
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 70792469
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethylthiophen-2-yl)-5-fluoropyrimidin-4-amine
CID 90243451
2-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyrimidin-2-yl]thiophen-2-yl]ethanol
CID 123969405
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine;formaldehyde
CID 144136505
2-(2-(5-(Trifluoromethyl)-1h-pyrazol-3-yl)pyrimidin-5-yl)-1-(5-hexylthiophen-2-yl)ethanol
CID 144731330
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 144136506
[5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thiophen-2-yl]methanol
CID 50943218

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]ethanol?
The IUPAC name of (1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]ethanol (CID 50943610) is (1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]ethanol?
The canonical SMILES for (1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]ethanol is Cc1cnc(-c2ccc([C@H](C)O)s2)nc1Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of (1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]ethanol?
The InChIKey is CKJYOGMOVODTAS-JTQLQIEISA-N. The full InChI is InChI=1S/C17H19N5OS/c1-9-8-18-17(14-6-5-13(24-14)10(2)23)20-16(9)19-15-7-12(21-22-15)11-3-4-11/h5-8,10-11,23H,3-4H2,1-2H3,(H2,18,19,20,21,22)/t10-/m0/s1.
What are the key properties of (1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]ethanol?
(1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]ethanol has a molecular weight of 341.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]ethanol is sourced from PubChem (CID 50943610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).