[4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone

C22H26N4O2S — CID 45236756

IUPAC[4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccccc1CNc1ncnc2sc(C(=O)N3CCCC(C)C3)c(C)c12
InChIInChI=1S/C22H26N4O2S/c1-14-7-6-10-26(12-14)22(27)19-15(2)18-20(24-13-25-21(18)29-19)23-11-16-8-4-5-9-17(16)28-3/h4-5,8-9,13-14H,6-7,10-12H2,1-3H3,(H,23,24,25)
InChIKeySNWOOFQFKCEYIL-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.49
Rot. Bonds5

About [4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone

[4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 45236756) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is [4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID45236756
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name[4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccccc1CNc1ncnc2sc(C(=O)N3CCCC(C)C3)c(C)c12
InChIInChI=1S/C22H26N4O2S/c1-14-7-6-10-26(12-14)22(27)19-15(2)18-20(24-13-25-21(18)29-19)23-11-16-8-4-5-9-17(16)28-3/h4-5,8-9,13-14H,6-7,10-12H2,1-3H3,(H,23,24,25)
InChIKeySNWOOFQFKCEYIL-UHFFFAOYSA-N
XLogP4.49
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 42346611
[4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45166956
1-[4-[(3-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidine-3-carboxamide
CID 45165663
4-[(2-methoxyphenyl)methylamino]-5-methyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45215842
[5-methyl-4-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone
CID 45230677
N-(1-hydroxy-2-methylpropan-2-yl)-4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42499865
N-butyl-4-[(2-methoxyphenyl)methylamino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42472593
N-[(2-methoxyphenyl)methyl]-5-methyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42452538
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[4-[(3-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 42397531
4-[(2-methoxyphenyl)methylamino]-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26352092
[3-(dimethylamino)pyrrolidin-1-yl]-[4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 45231558
[4-(3-methoxypropylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 42397338

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone (CID 45236756) is [4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone is COc1ccccc1CNc1ncnc2sc(C(=O)N3CCCC(C)C3)c(C)c12.
What is the InChIKey of [4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is SNWOOFQFKCEYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-14-7-6-10-26(12-14)22(27)19-15(2)18-20(24-13-25-21(18)29-19)23-11-16-8-4-5-9-17(16)28-3/h4-5,8-9,13-14H,6-7,10-12H2,1-3H3,(H,23,24,25).
What are the key properties of [4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone?
[4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 410.54 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 45236756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).