[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol

C18H15N3O2S — CID 45275518

IUPAC[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol
SMILESCc1ccc(-c2nc(N)c3cc(C(O)c4ccccc4)sc3n2)o1
InChIInChI=1S/C18H15N3O2S/c1-10-7-8-13(23-10)17-20-16(19)12-9-14(24-18(12)21-17)15(22)11-5-3-2-4-6-11/h2-9,15,22H,1H3,(H2,19,20,21)
InChIKeyMPAJUCYHASFYRP-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.92
Rot. Bonds3

About [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol

[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol (PubChem CID 45275518) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol.

Molecular Properties

Compound Name[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol
PubChem CID45275518
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol
SMILESCc1ccc(-c2nc(N)c3cc(C(O)c4ccccc4)sc3n2)o1
InChIInChI=1S/C18H15N3O2S/c1-10-7-8-13(23-10)17-20-16(19)12-9-14(24-18(12)21-17)15(22)11-5-3-2-4-6-11/h2-9,15,22H,1H3,(H2,19,20,21)
InChIKeyMPAJUCYHASFYRP-UHFFFAOYSA-N
XLogP3.92
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol
CID 45136851
[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanol;[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanol;[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone;[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone;[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol;[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanone;6-benzyl-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 161259553
1-[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-1-pyridin-2-ylethanol
CID 59279435
6-[(2,6-dimethylpiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 67355923
[4-amino-2-(2-methyl-4-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]-pyridin-2-ylmethanol
CID 59279446
6-(3,6-dihydro-2H-pyridin-1-ylmethyl)-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 59276689
6-[(4,4-difluoropiperidin-1-yl)methyl]-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 59276728
2-(5-methylfuran-2-yl)-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 59276685
5-bromo-2-(5-methylfuran-2-yl)-6-phenylpyrimidin-4-amine
CID 66302594
[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 45275616
[4-amino-2-[3-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanol
CID 45275289
2-(5-propan-2-ylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 59276706

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol?
The IUPAC name of [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol (CID 45275518) is [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol.
What is the SMILES notation for [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol?
The canonical SMILES for [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol is Cc1ccc(-c2nc(N)c3cc(C(O)c4ccccc4)sc3n2)o1.
What is the InChIKey of [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol?
The InChIKey is MPAJUCYHASFYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-10-7-8-13(23-10)17-20-16(19)12-9-14(24-18(12)21-17)15(22)11-5-3-2-4-6-11/h2-9,15,22H,1H3,(H2,19,20,21).
What are the key properties of [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol?
[4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol has a molecular weight of 337.40 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]-phenylmethanol is sourced from PubChem (CID 45275518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).