1-cyclopropyl-6-(2,4-dimethylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione

C17H21N5O3 — CID 71877387

IUPAC1-cyclopropyl-6-(2,4-dimethylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC1CN(C)CCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
InChIInChI=1S/C17H21N5O3/c1-10-9-20(2)5-6-21(10)16(24)11-7-13-14(18-8-11)22(12-3-4-12)17(25)19-15(13)23/h7-8,10,12H,3-6,9H2,1-2H3,(H,19,23,25)
InChIKeyYUPSEPOJMSRVNV-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.20
Rot. Bonds2

About 1-cyclopropyl-6-(2,4-dimethylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione

1-cyclopropyl-6-(2,4-dimethylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 71877387) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-cyclopropyl-6-(2,4-dimethylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-cyclopropyl-6-(2,4-dimethylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID71877387
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name1-cyclopropyl-6-(2,4-dimethylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC1CN(C)CCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1
InChIInChI=1S/C17H21N5O3/c1-10-9-20(2)5-6-21(10)16(24)11-7-13-14(18-8-11)22(12-3-4-12)17(25)19-15(13)23/h7-8,10,12H,3-6,9H2,1-2H3,(H,19,23,25)
InChIKeyYUPSEPOJMSRVNV-UHFFFAOYSA-N
XLogP0.20
TPSA91.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopropyl-6-(2-methylazepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 84584099
1-cyclopropyl-6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 46442239
6-(2-cyclopentylpyrrolidine-1-carbonyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 56818048
1-cyclopropyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 134048146
1-cyclopropyl-N-[(4-methylphenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36863765
1-cyclopropyl-N-[2-(methylcarbamoyl)phenyl]-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 55550563
tert-butyl (3R,4R)-3-[(1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]-4-methylpiperidine-1-carboxylate
CID 99787984
1-cyclopropyl-2,4-dioxo-N-[1-oxo-1-(propylamino)propan-2-yl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 46552138
1-cyclopropyl-N-(6-methoxy-3-pyridinyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36769260
1-cyclopropyl-2,4-dioxo-N-[3-(trifluoromethyl)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 55553880
1-cyclopropyl-N-(4-ethoxyphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 36705199
N-(4-amino-3,5-dichlorophenyl)-1-cyclopropyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 134046812

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-(2,4-dimethylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-cyclopropyl-6-(2,4-dimethylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 71877387) is 1-cyclopropyl-6-(2,4-dimethylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-cyclopropyl-6-(2,4-dimethylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-cyclopropyl-6-(2,4-dimethylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione is CC1CN(C)CCN1C(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1.
What is the InChIKey of 1-cyclopropyl-6-(2,4-dimethylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is YUPSEPOJMSRVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-10-9-20(2)5-6-21(10)16(24)11-7-13-14(18-8-11)22(12-3-4-12)17(25)19-15(13)23/h7-8,10,12H,3-6,9H2,1-2H3,(H,19,23,25).
What are the key properties of 1-cyclopropyl-6-(2,4-dimethylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione?
1-cyclopropyl-6-(2,4-dimethylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 343.39 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-(2,4-dimethylpiperazine-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 71877387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).