3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol

C17H25N3OS — CID 139931150

IUPAC3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol
SMILESOCCCc1cc2c(NC3CCCCCCC3)ncnc2s1
InChIInChI=1S/C17H25N3OS/c21-10-6-9-14-11-15-16(18-12-19-17(15)22-14)20-13-7-4-2-1-3-5-8-13/h11-13,21H,1-10H2,(H,18,19,20)
InChIKeyOYKCJOHPWFQKHM-UHFFFAOYSA-N
MW319.47 g/mol
LogP4.14
Rot. Bonds5

About 3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol

3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol (PubChem CID 139931150) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is 3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol
PubChem CID139931150
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC Name3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol
SMILESOCCCc1cc2c(NC3CCCCCCC3)ncnc2s1
InChIInChI=1S/C17H25N3OS/c21-10-6-9-14-11-15-16(18-12-19-17(15)22-14)20-13-7-4-2-1-3-5-8-13/h11-13,21H,1-10H2,(H,18,19,20)
InChIKeyOYKCJOHPWFQKHM-UHFFFAOYSA-N
XLogP4.14
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-6-[(oxetan-3-ylmethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 101442998
4-(cyclohexylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 99988036
N-[[4-(cycloheptylamino)thieno[2,3-d]pyrimidin-6-yl]methyl]-1,2-oxazol-3-amine;hydrochloride
CID 139931104
2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
CID 133282185
6-ethyl-N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133399232
N-cyclooctyl-6-[2-(1,3-thiazol-2-ylamino)ethoxymethyl]thieno[2,3-d]pyrimidin-4-amine
CID 139931144
2-(4-cyclohexyloxythieno[2,3-d]pyrimidin-6-yl)ethanamine
CID 144752457
N-cyclooctyl-6-[2-[ethyl(2-methoxyethyl)amino]ethoxymethyl]thieno[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 139931108
N-(8-azabicyclo[3.2.1]octan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 61233127
cis-(1R,3S)-1-N-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]cyclohexane-1,3-diamine
CID 151424092
cyclohexyl-[4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 133409423
1-N-methyl-4-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)cyclohexane-1,4-diamine
CID 79110936

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol?
The IUPAC name of 3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol (CID 139931150) is 3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol?
The canonical SMILES for 3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol is OCCCc1cc2c(NC3CCCCCCC3)ncnc2s1.
What is the InChIKey of 3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol?
The InChIKey is OYKCJOHPWFQKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c21-10-6-9-14-11-15-16(18-12-19-17(15)22-14)20-13-7-4-2-1-3-5-8-13/h11-13,21H,1-10H2,(H,18,19,20).
What are the key properties of 3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol?
3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol has a molecular weight of 319.47 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclooctylamino)thieno[2,3-d]pyrimidin-6-yl]propan-1-ol is sourced from PubChem (CID 139931150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).