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

C19H23N5O2S — CID 70792558

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

1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol (PubChem CID 70792558) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol.

Molecular Properties

• Compound Name: 1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol
• PubChem CID: 70792558
• Molecular Formula: C19H23N5O2S
• Molecular Weight: 385.49 g/mol
• Exact Mass: 385.16
• IUPAC Name: 1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol
• SMILES: COCCC(O)c1ccc(-c2ncc(C)c(Nc3cc(C4CC4)[nH]n3)n2)s1
• InChI: InChI=1S/C19H23N5O2S/c1-11-10-20-19(16-6-5-15(27-16)14(25)7-8-26-2)22-18(11)21-17-9-13(23-24-17)12-3-4-12/h5-6,9-10,12,14,25H,3-4,7-8H2,1-2H3,(H2,20,21,22,23,24)
• InChIKey: SXPVQHOOUQTJOA-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 95.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.49
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol?

The IUPAC name of 1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol (CID 70792558) is 1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol.

What is the SMILES notation for 1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol?

The canonical SMILES for 1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol is COCCC(O)c1ccc(-c2ncc(C)c(Nc3cc(C4CC4)[nH]n3)n2)s1.

What is the InChIKey of 1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol?

The InChIKey is SXPVQHOOUQTJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-11-10-20-19(16-6-5-15(27-16)14(25)7-8-26-2)22-18(11)21-17-9-13(23-24-17)12-3-4-12/h5-6,9-10,12,14,25H,3-4,7-8H2,1-2H3,(H2,20,21,22,23,24).

What are the key properties of 1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol?

1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol has a molecular weight of 385.49 g/mol, XLogP of 3.93, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl]thiophen-2-yl]-3-methoxypropan-1-ol is sourced from PubChem (CID 70792558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).