N-[(4-methyloxan-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

C18H20N4OS — CID 166246019

IUPACN-[(4-methyloxan-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCC1(CNc2nc(-c3ccccn3)nc3sccc23)CCOCC1
InChIInChI=1S/C18H20N4OS/c1-18(6-9-23-10-7-18)12-20-15-13-5-11-24-17(13)22-16(21-15)14-4-2-3-8-19-14/h2-5,8,11H,6-7,9-10,12H2,1H3,(H,20,21,22)
InChIKeyMDKROICOHYXFRJ-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.98
Rot. Bonds4

About N-[(4-methyloxan-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

N-[(4-methyloxan-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 166246019) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID166246019
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCC1(CNc2nc(-c3ccccn3)nc3sccc23)CCOCC1
InChIInChI=1S/C18H20N4OS/c1-18(6-9-23-10-7-18)12-20-15-13-5-11-24-17(13)22-16(21-15)14-4-2-3-8-19-14/h2-5,8,11H,6-7,9-10,12H2,1H3,(H,20,21,22)
InChIKeyMDKROICOHYXFRJ-UHFFFAOYSA-N
XLogP3.98
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-methyloxan-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-(oxan-4-ylmethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 166245983
N-[(2,3-dimethyl-1,1-dioxo-1,2-thiazolidin-3-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 166278916
3-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 166320094
N-(4,4-dimethylpyrrolidin-3-yl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 166257983
N-cyclopropyl-2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 166245959
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 166320046
N-[(3-cyclobutyl-1,2-oxazol-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 166320075
N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 166320074
4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327918
[2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]-1-bicyclo[3.1.0]hexanyl]methanol
CID 166310130
3-chloro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
CID 103748473
(2S)-3-methyl-2-[(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)amino]butanamide
CID 138020227

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 166246019) is N-[(4-methyloxan-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is CC1(CNc2nc(-c3ccccn3)nc3sccc23)CCOCC1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MDKROICOHYXFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-18(6-9-23-10-7-18)12-20-15-13-5-11-24-17(13)22-16(21-15)14-4-2-3-8-19-14/h2-5,8,11H,6-7,9-10,12H2,1H3,(H,20,21,22).
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
N-[(4-methyloxan-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 340.45 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 166246019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).