1-methoxy-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol

C18H21N3O2S — CID 133415293

IUPAC1-methoxy-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol
SMILESCOCC(O)CCNc1nc(C)nc2sc(-c3ccccc3)cc12
InChIInChI=1S/C18H21N3O2S/c1-12-20-17(19-9-8-14(22)11-23-2)15-10-16(24-18(15)21-12)13-6-4-3-5-7-13/h3-7,10,14,22H,8-9,11H2,1-2H3,(H,19,20,21)
InChIKeyHVEJTPOMGMNHKV-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.48
Rot. Bonds7

About 1-methoxy-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol

1-methoxy-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol (PubChem CID 133415293) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-methoxy-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol
PubChem CID133415293
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-methoxy-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol
SMILESCOCC(O)CCNc1nc(C)nc2sc(-c3ccccc3)cc12
InChIInChI=1S/C18H21N3O2S/c1-12-20-17(19-9-8-14(22)11-23-2)15-10-16(24-18(15)21-12)13-6-4-3-5-7-13/h3-7,10,14,22H,8-9,11H2,1-2H3,(H,19,20,21)
InChIKeyHVEJTPOMGMNHKV-UHFFFAOYSA-N
XLogP3.48
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]pentanamide
CID 75399999
2-chloro-N-(2-methoxyethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 93214406
2-methyl-1-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]oxypropan-2-ol
CID 100668691
(3S)-3-hydroxy-N'-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)butanehydrazide
CID 166386190
N-[(4-chlorophenyl)methyl]-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2413300
N-(2-methoxyethyl)-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 26455462
N-(butan-2-ylideneamino)-2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4640728
3-methyl-2-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide
CID 133416689
1-methoxy-4-[(3-methylquinoxalin-2-yl)amino]butan-2-ol
CID 103875708
2-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-1-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 166380769
3-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 1191481
2-methyl-6-phenyl-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 18269381

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol?
The IUPAC name of 1-methoxy-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol (CID 133415293) is 1-methoxy-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol.
What is the SMILES notation for 1-methoxy-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol?
The canonical SMILES for 1-methoxy-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol is COCC(O)CCNc1nc(C)nc2sc(-c3ccccc3)cc12.
What is the InChIKey of 1-methoxy-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol?
The InChIKey is HVEJTPOMGMNHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-20-17(19-9-8-14(22)11-23-2)15-10-16(24-18(15)21-12)13-6-4-3-5-7-13/h3-7,10,14,22H,8-9,11H2,1-2H3,(H,19,20,21).
What are the key properties of 1-methoxy-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol?
1-methoxy-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol has a molecular weight of 343.45 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol is sourced from PubChem (CID 133415293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).