4-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol

C18H21N3OS — CID 71892033

IUPAC4-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol
SMILESCc1nc(NCc2ccc(O)cc2)c2c(CC(C)C)csc2n1
InChIInChI=1S/C18H21N3OS/c1-11(2)8-14-10-23-18-16(14)17(20-12(3)21-18)19-9-13-4-6-15(22)7-5-13/h4-7,10-11,22H,8-9H2,1-3H3,(H,19,20,21)
InChIKeyZFYCYPFXJJYMRU-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.52
Rot. Bonds5

About 4-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol

4-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol (PubChem CID 71892033) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 4-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol.

Molecular Properties

Compound Name4-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol
PubChem CID71892033
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name4-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol
SMILESCc1nc(NCc2ccc(O)cc2)c2c(CC(C)C)csc2n1
InChIInChI=1S/C18H21N3OS/c1-11(2)8-14-10-23-18-16(14)17(20-12(3)21-18)19-9-13-4-6-15(22)7-5-13/h4-7,10-11,22H,8-9H2,1-3H3,(H,19,20,21)
InChIKeyZFYCYPFXJJYMRU-UHFFFAOYSA-N
XLogP4.52
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2457693
4-{[(2-Chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol
CID 154872580
3-{[5-(4-Methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}propan-1-ol
CID 1948833
4-(6-Ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-ylamino)-phenol
CID 6458036
N-[2-(4-methoxyphenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 23631944
4-[2-[(5-Methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 23632056
4-[(2-Methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]phenol
CID 5104861
3-{[(2-Chloro-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl}phenol
CID 165368440
3-{[5-(4-Methylphenyl)thiopheno[3,2-e]pyrimidin-4-yl]amino}phenol
CID 733564
3-[(5-Phenylthiopheno[3,2-e]pyrimidin-4-yl)amino]phenol
CID 733565
3-[(3-methyl-7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimidin-1-yl)amino]phenol
CID 2537884
4-[(5-Phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol hydrochloride
CID 2792371

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol?
The IUPAC name of 4-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol (CID 71892033) is 4-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol.
What is the SMILES notation for 4-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol?
The canonical SMILES for 4-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol is Cc1nc(NCc2ccc(O)cc2)c2c(CC(C)C)csc2n1.
What is the InChIKey of 4-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol?
The InChIKey is ZFYCYPFXJJYMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-11(2)8-14-10-23-18-16(14)17(20-12(3)21-18)19-9-13-4-6-15(22)7-5-13/h4-7,10-11,22H,8-9H2,1-3H3,(H,19,20,21).
What are the key properties of 4-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol?
4-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol has a molecular weight of 327.45 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]phenol is sourced from PubChem (CID 71892033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).