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1,3-dimethyl-6-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine-2,4-dione

C19H27N7O2 — CID 155942358

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1,3-dimethyl-6-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine-2,4-dione
SMILESCc1nc(N2CCCC2)cc(N2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)n1
InChIInChI=1S/C19H27N7O2/c1-14-20-15(24-6-4-5-7-24)12-16(21-14)25-8-10-26(11-9-25)17-13-18(27)23(3)19(28)22(17)2/h12-13H,4-11H2,1-3H3
InChIKeyAITPLGAUHFYQNX-UHFFFAOYSA-N
MW385.47 g/mol
LogP0.11
Rot. Bonds3

About 1,3-dimethyl-6-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine-2,4-dione

1,3-dimethyl-6-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine-2,4-dione (PubChem CID 155942358) has the molecular formula C19H27N7O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1,3-dimethyl-6-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine-2,4-dione
PubChem CID155942358
Molecular FormulaC19H27N7O2
Molecular Weight385.47 g/mol
Exact Mass385.22
IUPAC Name1,3-dimethyl-6-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine-2,4-dione
SMILESCc1nc(N2CCCC2)cc(N2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)n1
InChIInChI=1S/C19H27N7O2/c1-14-20-15(24-6-4-5-7-24)12-16(21-14)25-8-10-26(11-9-25)17-13-18(27)23(3)19(28)22(17)2/h12-13H,4-11H2,1-3H3
InChIKeyAITPLGAUHFYQNX-UHFFFAOYSA-N
XLogP0.11
TPSA79.50 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine-2,4-dione (CID 155942358) is 1,3-dimethyl-6-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine-2,4-dione is Cc1nc(N2CCCC2)cc(N2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)n1.
What is the InChIKey of 1,3-dimethyl-6-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine-2,4-dione?
The InChIKey is AITPLGAUHFYQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O2/c1-14-20-15(24-6-4-5-7-24)12-16(21-14)25-8-10-26(11-9-25)17-13-18(27)23(3)19(28)22(17)2/h12-13H,4-11H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine-2,4-dione has a molecular weight of 385.47 g/mol, XLogP of 0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 155942358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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