1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol

C20H21N5OS — CID 75422132

IUPAC1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCc1nc(NCC(C)(O)c2cnn(C)c2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C20H21N5OS/c1-13-23-18(21-12-20(2,26)15-9-22-25(3)10-15)17-16(11-27-19(17)24-13)14-7-5-4-6-8-14/h4-11,26H,12H2,1-3H3,(H,21,23,24)
InChIKeyIBCDFZXDCNUNMB-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.72
Rot. Bonds5

About 1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol

1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol (PubChem CID 75422132) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
PubChem CID75422132
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCc1nc(NCC(C)(O)c2cnn(C)c2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C20H21N5OS/c1-13-23-18(21-12-20(2,26)15-9-22-25(3)10-15)17-16(11-27-19(17)24-13)14-7-5-4-6-8-14/h4-11,26H,12H2,1-3H3,(H,21,23,24)
InChIKeyIBCDFZXDCNUNMB-UHFFFAOYSA-N
XLogP3.72
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The IUPAC name of 1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol (CID 75422132) is 1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for 1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol is Cc1nc(NCC(C)(O)c2cnn(C)c2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The InChIKey is IBCDFZXDCNUNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-13-23-18(21-12-20(2,26)15-9-22-25(3)10-15)17-16(11-27-19(17)24-13)14-7-5-4-6-8-14/h4-11,26H,12H2,1-3H3,(H,21,23,24).
What are the key properties of 1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol has a molecular weight of 379.49 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 75422132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).