3-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3-phenylcyclobutan-1-ol

C18H19N3OS — CID 138054558

IUPAC3-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3-phenylcyclobutan-1-ol
SMILESCc1csc2ncnc(NCC3(c4ccccc4)CC(O)C3)c12
InChIInChI=1S/C18H19N3OS/c1-12-9-23-17-15(12)16(20-11-21-17)19-10-18(7-14(22)8-18)13-5-3-2-4-6-13/h2-6,9,11,14,22H,7-8,10H2,1H3,(H,19,20,21)
InChIKeyVSZMBTMMIAFJFK-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.50
Rot. Bonds4

About 3-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3-phenylcyclobutan-1-ol

3-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3-phenylcyclobutan-1-ol (PubChem CID 138054558) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 3-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3-phenylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3-phenylcyclobutan-1-ol
PubChem CID138054558
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name3-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3-phenylcyclobutan-1-ol
SMILESCc1csc2ncnc(NCC3(c4ccccc4)CC(O)C3)c12
InChIInChI=1S/C18H19N3OS/c1-12-9-23-17-15(12)16(20-11-21-17)19-10-18(7-14(22)8-18)13-5-3-2-4-6-13/h2-6,9,11,14,22H,7-8,10H2,1H3,(H,19,20,21)
InChIKeyVSZMBTMMIAFJFK-UHFFFAOYSA-N
XLogP3.50
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3-phenylcyclobutan-1-ol with MolForge

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Related Compounds

N-benzyl-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 68604925
4-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
CID 123828664
5-methyl-4-[(4-phenyloxan-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 118760154
(2S)-2-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 140546721
9a-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1,6,7,9-tetrahydro-[1,4]oxazino[3,4-c][1,4]oxazin-4-one
CID 146137217
benzyl 6-[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoate
CID 23632050
N-(2-cyclopentyloxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 15985925
N-[(4-phenyloxan-4-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 19578460
N-[(4-phenyloxan-4-yl)methyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-amine
CID 19578445
N-(4-ethylcyclohexyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 59232479
N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 141056385
7-[([1]benzothiolo[2,3-d]pyrimidin-4-ylamino)methyl]-6-oxaspiro[3.5]nonan-2-ol
CID 166359521

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3-phenylcyclobutan-1-ol?
The IUPAC name of 3-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3-phenylcyclobutan-1-ol (CID 138054558) is 3-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3-phenylcyclobutan-1-ol.
What is the SMILES notation for 3-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3-phenylcyclobutan-1-ol?
The canonical SMILES for 3-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3-phenylcyclobutan-1-ol is Cc1csc2ncnc(NCC3(c4ccccc4)CC(O)C3)c12.
What is the InChIKey of 3-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3-phenylcyclobutan-1-ol?
The InChIKey is VSZMBTMMIAFJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-12-9-23-17-15(12)16(20-11-21-17)19-10-18(7-14(22)8-18)13-5-3-2-4-6-13/h2-6,9,11,14,22H,7-8,10H2,1H3,(H,19,20,21).
What are the key properties of 3-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3-phenylcyclobutan-1-ol?
3-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3-phenylcyclobutan-1-ol has a molecular weight of 325.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-methylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-3-phenylcyclobutan-1-ol is sourced from PubChem (CID 138054558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).