1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-cyclohexylurea

C21H25N5OS — CID 6539984

IUPAC1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-cyclohexylurea
SMILESCCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H25N5OS/c1-2-16-17(18-19(22)23-12-24-20(18)28-16)13-8-10-15(11-9-13)26-21(27)25-14-6-4-3-5-7-14/h8-12,14H,2-7H2,1H3,(H2,22,23,24)(H2,25,26,27)
InChIKeyKZNKDZFOFKKZEW-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.96
Rot. Bonds4

About 1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-cyclohexylurea

1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-cyclohexylurea (PubChem CID 6539984) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is 1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-cyclohexylurea
PubChem CID6539984
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC Name1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-cyclohexylurea
SMILESCCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H25N5OS/c1-2-16-17(18-19(22)23-12-24-20(18)28-16)13-8-10-15(11-9-13)26-21(27)25-14-6-4-3-5-7-14/h8-12,14H,2-7H2,1H3,(H2,22,23,24)(H2,25,26,27)
InChIKeyKZNKDZFOFKKZEW-UHFFFAOYSA-N
XLogP4.96
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-Aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-(3-methylphenyl)urea
CID 6539985
3-(4-{4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-phenylurea
CID 6539971
Thienopyrimidine deriv. 11
CID 6539972
Thienopyrimidine deriv. 70
CID 6539978
Thienopyrimidine deriv. 72
CID 6539979
3-(4-{4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-benzylurea
CID 6539981
Thienopyrimidine deriv. 74
CID 6539983
Urea, N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-N'-butyl-
CID 6539986
Thienopyrimidine deriv. 10
CID 6539988
Thienopyrimidine deriv. 12
CID 6539989
Thienopyrimidine deriv. 16
CID 6539993
Thienopyrimidine deriv. 17
CID 6539994

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-cyclohexylurea?
The IUPAC name of 1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-cyclohexylurea (CID 6539984) is 1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-cyclohexylurea?
The canonical SMILES for 1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-cyclohexylurea is CCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-cyclohexylurea?
The InChIKey is KZNKDZFOFKKZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-2-16-17(18-19(22)23-12-24-20(18)28-16)13-8-10-15(11-9-13)26-21(27)25-14-6-4-3-5-7-14/h8-12,14H,2-7H2,1H3,(H2,22,23,24)(H2,25,26,27).
What are the key properties of 1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-cyclohexylurea?
1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-cyclohexylurea has a molecular weight of 395.53 g/mol, XLogP of 4.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl)phenyl]-3-cyclohexylurea is sourced from PubChem (CID 6539984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).