(5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propylpiperazin-1-yl)methanone

C21H30N6O2 — CID 71837946

IUPAC(5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2nc(N3CCOCC3)c3c(C)cc(C)nc3n2)CC1
InChIInChI=1S/C21H30N6O2/c1-4-5-25-6-8-27(9-7-25)21(28)19-23-18-17(15(2)14-16(3)22-18)20(24-19)26-10-12-29-13-11-26/h14H,4-13H2,1-3H3
InChIKeyKPTTYSJUKIGPIL-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.65
Rot. Bonds4

About (5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propylpiperazin-1-yl)methanone

(5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propylpiperazin-1-yl)methanone (PubChem CID 71837946) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is (5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propylpiperazin-1-yl)methanone
PubChem CID71837946
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name(5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2nc(N3CCOCC3)c3c(C)cc(C)nc3n2)CC1
InChIInChI=1S/C21H30N6O2/c1-4-5-25-6-8-27(9-7-25)21(28)19-23-18-17(15(2)14-16(3)22-18)20(24-19)26-10-12-29-13-11-26/h14H,4-13H2,1-3H3
InChIKeyKPTTYSJUKIGPIL-UHFFFAOYSA-N
XLogP1.65
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5,7-dimethyl-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168200
5,7-dimethyl-N-(3-morpholin-4-ylpropyl)-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168197
(5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone
CID 53168237
(5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 71837921
5,7-dimethyl-4-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrido[2,3-d]pyrimidine-2-carboxamide
CID 71837973
5,7-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 71837939
N-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 71837960
(5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 71838007
(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-(4-propylpiperazin-1-yl)methanone
CID 20889798
5,7-dimethyl-N-(oxolan-2-ylmethyl)-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168227
[4-(3-fluoro-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 166291508
(4,6-dimethyl-2-piperidin-1-yl-3-pyridinyl)-morpholin-4-ylmethanone
CID 102432924

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of (5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propylpiperazin-1-yl)methanone (CID 71837946) is (5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for (5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for (5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2nc(N3CCOCC3)c3c(C)cc(C)nc3n2)CC1.
What is the InChIKey of (5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propylpiperazin-1-yl)methanone?
The InChIKey is KPTTYSJUKIGPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-4-5-25-6-8-27(9-7-25)21(28)19-23-18-17(15(2)14-16(3)22-18)20(24-19)26-10-12-29-13-11-26/h14H,4-13H2,1-3H3.
What are the key properties of (5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propylpiperazin-1-yl)methanone?
(5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propylpiperazin-1-yl)methanone has a molecular weight of 398.51 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 71837946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).