N-[[4-(2-methylphenyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine

C19H21N3OS — CID 133272336

IUPACN-[[4-(2-methylphenyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccccc1C1(CNc2ncnc3sccc23)CCOCC1
InChIInChI=1S/C19H21N3OS/c1-14-4-2-3-5-16(14)19(7-9-23-10-8-19)12-20-17-15-6-11-24-18(15)22-13-21-17/h2-6,11,13H,7-10,12H2,1H3,(H,20,21,22)
InChIKeyJGAYWRYJULOTGH-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.16
Rot. Bonds4

About N-[[4-(2-methylphenyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine

N-[[4-(2-methylphenyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133272336) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[[4-(2-methylphenyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(2-methylphenyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133272336
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-[[4-(2-methylphenyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccccc1C1(CNc2ncnc3sccc23)CCOCC1
InChIInChI=1S/C19H21N3OS/c1-14-4-2-3-5-16(14)19(7-9-23-10-8-19)12-20-17-15-6-11-24-18(15)22-13-21-17/h2-6,11,13H,7-10,12H2,1H3,(H,20,21,22)
InChIKeyJGAYWRYJULOTGH-UHFFFAOYSA-N
XLogP4.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-fluorophenyl)cyclopropyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133311493
2-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide
CID 139000509
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 13038283
5-chloro-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-carboxamide
CID 133272354
N-methyl-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide
CID 133298695
N-[4-(2-methylphenyl)but-3-ynyl]thieno[2,3-d]pyrimidin-4-amine
CID 67890105
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 47071133
5-methyl-4-[(4-phenyloxan-4-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 118760154
5-chloro-4-[[4-(2-methylphenyl)oxan-4-yl]methylamino]-1H-pyridazin-6-one
CID 133272314
2-ethylsulfanyl-1-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclobutan-1-ol
CID 133357905
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 79358667
N-[(4-phenyloxan-4-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 19578460

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylphenyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[4-(2-methylphenyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 133272336) is N-[[4-(2-methylphenyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[4-(2-methylphenyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[4-(2-methylphenyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is Cc1ccccc1C1(CNc2ncnc3sccc23)CCOCC1.
What is the InChIKey of N-[[4-(2-methylphenyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JGAYWRYJULOTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-14-4-2-3-5-16(14)19(7-9-23-10-8-19)12-20-17-15-6-11-24-18(15)22-13-21-17/h2-6,11,13H,7-10,12H2,1H3,(H,20,21,22).
What are the key properties of N-[[4-(2-methylphenyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 339.46 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylphenyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133272336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).