(5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

C21H30N6OS — CID 71837921

IUPAC(5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C)c2c(N3CCSCC3)nc(C(=O)N3CCN(C(C)C)CC3)nc2n1
InChIInChI=1S/C21H30N6OS/c1-14(2)25-5-7-27(8-6-25)21(28)19-23-18-17(15(3)13-16(4)22-18)20(24-19)26-9-11-29-12-10-26/h13-14H,5-12H2,1-4H3
InChIKeyUUXJQEVGTOXBNO-UHFFFAOYSA-N
MW414.58 g/mol
LogP2.36
Rot. Bonds3

About (5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

(5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 71837921) has the molecular formula C21H30N6OS and a molecular weight of 414.58 g/mol. Its IUPAC name is (5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID71837921
Molecular FormulaC21H30N6OS
Molecular Weight414.58 g/mol
Exact Mass414.22
IUPAC Name(5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C)c2c(N3CCSCC3)nc(C(=O)N3CCN(C(C)C)CC3)nc2n1
InChIInChI=1S/C21H30N6OS/c1-14(2)25-5-7-27(8-6-25)21(28)19-23-18-17(15(3)13-16(4)22-18)20(24-19)26-9-11-29-12-10-26/h13-14H,5-12H2,1-4H3
InChIKeyUUXJQEVGTOXBNO-UHFFFAOYSA-N
XLogP2.36
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone
CID 53168237
(5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propylpiperazin-1-yl)methanone
CID 71837946
(5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 53168181
5,7-dimethyl-N-(oxolan-2-ylmethyl)-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168227
5,7-dimethyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53201126
[4-(dimethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 53168111
4-(2,6-dimethyl-4-pyridinyl)thiomorpholine
CID 143551760
N-(4-methoxy-2-methylphenyl)-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168185
5,7-dimethyl-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168200
[4-(diethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 53168262
[6-methyl-2-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 95829489
(2,5-dibromothiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 113237342

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 71837921) is (5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is Cc1cc(C)c2c(N3CCSCC3)nc(C(=O)N3CCN(C(C)C)CC3)nc2n1.
What is the InChIKey of (5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is UUXJQEVGTOXBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6OS/c1-14(2)25-5-7-27(8-6-25)21(28)19-23-18-17(15(3)13-16(4)22-18)20(24-19)26-9-11-29-12-10-26/h13-14H,5-12H2,1-4H3.
What are the key properties of (5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 414.58 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 71837921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).