N-[4-[4-(cyclohexylmethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]acetamide

C21H24N4OS — CID 162677757

IUPACN-[4-[4-(cyclohexylmethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc3c(NCC4CCCCC4)ncnc3s2)cc1
InChIInChI=1S/C21H24N4OS/c1-14(26)25-17-9-7-16(8-10-17)19-11-18-20(23-13-24-21(18)27-19)22-12-15-5-3-2-4-6-15/h7-11,13,15H,2-6,12H2,1H3,(H,25,26)(H,22,23,24)
InChIKeySJJLCGUGRXDOGH-UHFFFAOYSA-N
MW380.52 g/mol
LogP5.31
Rot. Bonds5

About N-[4-[4-(cyclohexylmethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]acetamide

N-[4-[4-(cyclohexylmethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]acetamide (PubChem CID 162677757) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is N-[4-[4-(cyclohexylmethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(cyclohexylmethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]acetamide
PubChem CID162677757
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC NameN-[4-[4-(cyclohexylmethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc3c(NCC4CCCCC4)ncnc3s2)cc1
InChIInChI=1S/C21H24N4OS/c1-14(26)25-17-9-7-16(8-10-17)19-11-18-20(23-13-24-21(18)27-19)22-12-15-5-3-2-4-6-15/h7-11,13,15H,2-6,12H2,1H3,(H,25,26)(H,22,23,24)
InChIKeySJJLCGUGRXDOGH-UHFFFAOYSA-N
XLogP5.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.52
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(cyclohexylmethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(cyclohexylmethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]acetamide (CID 162677757) is N-[4-[4-(cyclohexylmethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(cyclohexylmethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(cyclohexylmethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cc3c(NCC4CCCCC4)ncnc3s2)cc1.
What is the InChIKey of N-[4-[4-(cyclohexylmethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]acetamide?
The InChIKey is SJJLCGUGRXDOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-14(26)25-17-9-7-16(8-10-17)19-11-18-20(23-13-24-21(18)27-19)22-12-15-5-3-2-4-6-15/h7-11,13,15H,2-6,12H2,1H3,(H,25,26)(H,22,23,24).
What are the key properties of N-[4-[4-(cyclohexylmethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]acetamide?
N-[4-[4-(cyclohexylmethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]acetamide has a molecular weight of 380.52 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(cyclohexylmethylamino)thieno[2,3-d]pyrimidin-6-yl]phenyl]acetamide is sourced from PubChem (CID 162677757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).