4-[3-(2,6-dimethylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-7-methylthieno[3,2-d]pyrimidine

C18H20N6S — CID 172892347

IUPAC4-[3-(2,6-dimethylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-7-methylthieno[3,2-d]pyrimidine
SMILESCc1cc(N2CC3CC(C2)N3c2ncnc3c(C)csc23)nc(C)n1
InChIInChI=1S/C18H20N6S/c1-10-8-25-17-16(10)19-9-20-18(17)24-13-5-14(24)7-23(6-13)15-4-11(2)21-12(3)22-15/h4,8-9,13-14H,5-7H2,1-3H3
InChIKeyBYFXGIKAKHROAZ-UHFFFAOYSA-N
MW352.47 g/mol
LogP2.87
Rot. Bonds2

About 4-[3-(2,6-dimethylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-7-methylthieno[3,2-d]pyrimidine

4-[3-(2,6-dimethylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-7-methylthieno[3,2-d]pyrimidine (PubChem CID 172892347) has the molecular formula C18H20N6S and a molecular weight of 352.47 g/mol. Its IUPAC name is 4-[3-(2,6-dimethylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-7-methylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(2,6-dimethylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-7-methylthieno[3,2-d]pyrimidine
PubChem CID172892347
Molecular FormulaC18H20N6S
Molecular Weight352.47 g/mol
Exact Mass352.15
IUPAC Name4-[3-(2,6-dimethylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-7-methylthieno[3,2-d]pyrimidine
SMILESCc1cc(N2CC3CC(C2)N3c2ncnc3c(C)csc23)nc(C)n1
InChIInChI=1S/C18H20N6S/c1-10-8-25-17-16(10)19-9-20-18(17)24-13-5-14(24)7-23(6-13)15-4-11(2)21-12(3)22-15/h4,8-9,13-14H,5-7H2,1-3H3
InChIKeyBYFXGIKAKHROAZ-UHFFFAOYSA-N
XLogP2.87
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3-(2,6-dimethylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-7-methylthieno[3,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(2,6-dimethylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-6-fluoroquinazoline
CID 175650939
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-ol
CID 102687027
N-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-amine
CID 172894816
(2S,6R)-2,6-dimethyl-4-(7-methylthieno[3,2-d]pyrimidin-4-yl)morpholine
CID 6923426
[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methanol
CID 102687035
7-methyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]thieno[3,2-d]pyrimidine
CID 100700021
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol
CID 102687010
N-[(3aS,5R,6R,7aR)-6-hydroxy-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172665623
(1S,5R)-9-methyl-7-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135116965
4-(4-butylpiperidin-1-yl)-7-methylthieno[3,2-d]pyrimidine
CID 23381410
2,4-dimethyl-6-[3-(triazol-2-yl)azetidin-1-yl]pyrimidine
CID 146079603
(3aR,6aS)-3-cyclopentyl-5-(7-methylthieno[3,2-d]pyrimidin-4-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
CID 133118855

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,6-dimethylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-7-methylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-[3-(2,6-dimethylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-7-methylthieno[3,2-d]pyrimidine (CID 172892347) is 4-[3-(2,6-dimethylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-7-methylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[3-(2,6-dimethylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-7-methylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[3-(2,6-dimethylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-7-methylthieno[3,2-d]pyrimidine is Cc1cc(N2CC3CC(C2)N3c2ncnc3c(C)csc23)nc(C)n1.
What is the InChIKey of 4-[3-(2,6-dimethylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-7-methylthieno[3,2-d]pyrimidine?
The InChIKey is BYFXGIKAKHROAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6S/c1-10-8-25-17-16(10)19-9-20-18(17)24-13-5-14(24)7-23(6-13)15-4-11(2)21-12(3)22-15/h4,8-9,13-14H,5-7H2,1-3H3.
What are the key properties of 4-[3-(2,6-dimethylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-7-methylthieno[3,2-d]pyrimidine?
4-[3-(2,6-dimethylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-7-methylthieno[3,2-d]pyrimidine has a molecular weight of 352.47 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-dimethylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-7-methylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 172892347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).