6-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione

C17H25N7O2 — CID 155981016

IUPAC6-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCNc1nc(C)cc(N2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)n1
InChIInChI=1S/C17H25N7O2/c1-5-18-16-19-12(2)10-13(20-16)23-6-8-24(9-7-23)14-11-15(25)22(4)17(26)21(14)3/h10-11H,5-9H2,1-4H3,(H,18,19,20)
InChIKeyJMLRFGVXNPIBQA-UHFFFAOYSA-N
MW359.43 g/mol
LogP-0.06
Rot. Bonds4

About 6-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione

6-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 155981016) has the molecular formula C17H25N7O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID155981016
Molecular FormulaC17H25N7O2
Molecular Weight359.43 g/mol
Exact Mass359.21
IUPAC Name6-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCNc1nc(C)cc(N2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)n1
InChIInChI=1S/C17H25N7O2/c1-5-18-16-19-12(2)10-13(20-16)23-6-8-24(9-7-23)14-11-15(25)22(4)17(26)21(14)3/h10-11H,5-9H2,1-4H3,(H,18,19,20)
InChIKeyJMLRFGVXNPIBQA-UHFFFAOYSA-N
XLogP-0.06
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

1,3-dimethyl-6-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine-2,4-dione
CID 155942358
N-ethyl-4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-amine
CID 50947737
2-[2-(ethylamino)-6-methylpyrimidin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862622
1-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperidin-4-ol
CID 80764678
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine
CID 53047734
N-ethyl-4-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80756500
1-[2-(ethylamino)-6-methylpyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674413
[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 122351016
4-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine
CID 122351238
4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine
CID 122351198
4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-2-amine
CID 53047736
N-ethyl-4-methyl-6-[4-(3-methylsulfonyl-2-pyridinyl)piperazin-1-yl]pyrimidin-2-amine
CID 155976090

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione (CID 155981016) is 6-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione is CCNc1nc(C)cc(N2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)n1.
What is the InChIKey of 6-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is JMLRFGVXNPIBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O2/c1-5-18-16-19-12(2)10-13(20-16)23-6-8-24(9-7-23)14-11-15(25)22(4)17(26)21(14)3/h10-11H,5-9H2,1-4H3,(H,18,19,20).
What are the key properties of 6-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione?
6-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 359.43 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 155981016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).