(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone

C19H20N4OS — CID 35177384

IUPAC(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone
SMILESCc1nc(-c2ccccc2)nc2sc(C(=O)N3CCCCC3)c(N)c12
InChIInChI=1S/C19H20N4OS/c1-12-14-15(20)16(19(24)23-10-6-3-7-11-23)25-18(14)22-17(21-12)13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11,20H2,1H3
InChIKeyUCYMLDUGVPYZDI-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.88
Rot. Bonds2

About (5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone

(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone (PubChem CID 35177384) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is (5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone
PubChem CID35177384
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone
SMILESCc1nc(-c2ccccc2)nc2sc(C(=O)N3CCCCC3)c(N)c12
InChIInChI=1S/C19H20N4OS/c1-12-14-15(20)16(19(24)23-10-6-3-7-11-23)25-18(14)22-17(21-12)13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11,20H2,1H3
InChIKeyUCYMLDUGVPYZDI-UHFFFAOYSA-N
XLogP3.88
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-iodo-4-methylsulfanyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone
CID 169238336
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone
CID 23943390
3,6-diamino-2-(azepane-1-carbonyl)-4-phenylthieno[2,3-b]pyridine-5-carbonitrile
CID 23744146
(4-methylsulfanyl-2-phenyl-5-prop-1-en-2-ylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone
CID 169238319
(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone
CID 122624340
5-amino-N-(3-methoxyphenyl)-4-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 35177368
cyclopentyl-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 38391292
2-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30469221
azepan-1-yl-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone
CID 43043987
(2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 24638936
(4-methyl-2-phenylquinazolin-7-yl)-piperidin-1-ylmethanone
CID 146476155
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 53031115

Frequently Asked Questions

What is the IUPAC name of (5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone?
The IUPAC name of (5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone (CID 35177384) is (5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone is Cc1nc(-c2ccccc2)nc2sc(C(=O)N3CCCCC3)c(N)c12.
What is the InChIKey of (5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone?
The InChIKey is UCYMLDUGVPYZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-12-14-15(20)16(19(24)23-10-6-3-7-11-23)25-18(14)22-17(21-12)13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11,20H2,1H3.
What are the key properties of (5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone?
(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone has a molecular weight of 352.46 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 35177384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).