6-methyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine

C18H22N6S — CID 133487059

IUPAC6-methyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCN(c4ccnc(C(C)C)n4)CC3)ncnc2s1
InChIInChI=1S/C18H22N6S/c1-12(2)16-19-5-4-15(22-16)23-6-8-24(9-7-23)17-14-10-13(3)25-18(14)21-11-20-17/h4-5,10-12H,6-9H2,1-3H3
InChIKeyBKFZJHPVLXAXCQ-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.24
Rot. Bonds3

About 6-methyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine

6-methyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 133487059) has the molecular formula C18H22N6S and a molecular weight of 354.48 g/mol. Its IUPAC name is 6-methyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID133487059
Molecular FormulaC18H22N6S
Molecular Weight354.48 g/mol
Exact Mass354.16
IUPAC Name6-methyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCN(c4ccnc(C(C)C)n4)CC3)ncnc2s1
InChIInChI=1S/C18H22N6S/c1-12(2)16-19-5-4-15(22-16)23-6-8-24(9-7-23)17-14-10-13(3)25-18(14)21-11-20-17/h4-5,10-12H,6-9H2,1-3H3
InChIKeyBKFZJHPVLXAXCQ-UHFFFAOYSA-N
XLogP3.24
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-methyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 133487059) is 6-methyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-methyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-methyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine is Cc1cc2c(N3CCN(c4ccnc(C(C)C)n4)CC3)ncnc2s1.
What is the InChIKey of 6-methyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is BKFZJHPVLXAXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6S/c1-12(2)16-19-5-4-15(22-16)23-6-8-24(9-7-23)17-14-10-13(3)25-18(14)21-11-20-17/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of 6-methyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
6-methyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 354.48 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 133487059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).