[3-methyl-1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclohexyl]methanol

C14H19N3OS — CID 62525512

IUPAC[3-methyl-1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclohexyl]methanol
SMILESCC1CCCC(CO)(Nc2ncnc3ccsc23)C1
InChIInChI=1S/C14H19N3OS/c1-10-3-2-5-14(7-10,8-18)17-13-12-11(4-6-19-12)15-9-16-13/h4,6,9-10,18H,2-3,5,7-8H2,1H3,(H,15,16,17)
InChIKeyNIKGJBBCUBPVQH-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.04
Rot. Bonds3

About [3-methyl-1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclohexyl]methanol

[3-methyl-1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclohexyl]methanol (PubChem CID 62525512) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is [3-methyl-1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-methyl-1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclohexyl]methanol
PubChem CID62525512
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name[3-methyl-1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclohexyl]methanol
SMILESCC1CCCC(CO)(Nc2ncnc3ccsc23)C1
InChIInChI=1S/C14H19N3OS/c1-10-3-2-5-14(7-10,8-18)17-13-12-11(4-6-19-12)15-9-16-13/h4,6,9-10,18H,2-3,5,7-8H2,1H3,(H,15,16,17)
InChIKeyNIKGJBBCUBPVQH-UHFFFAOYSA-N
XLogP3.04
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclohexyl]methanol?
The IUPAC name of [3-methyl-1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclohexyl]methanol (CID 62525512) is [3-methyl-1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-methyl-1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclohexyl]methanol?
The canonical SMILES for [3-methyl-1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclohexyl]methanol is CC1CCCC(CO)(Nc2ncnc3ccsc23)C1.
What is the InChIKey of [3-methyl-1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclohexyl]methanol?
The InChIKey is NIKGJBBCUBPVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10-3-2-5-14(7-10,8-18)17-13-12-11(4-6-19-12)15-9-16-13/h4,6,9-10,18H,2-3,5,7-8H2,1H3,(H,15,16,17).
What are the key properties of [3-methyl-1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclohexyl]methanol?
[3-methyl-1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclohexyl]methanol has a molecular weight of 277.39 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 62525512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).