3-methyl-5-[4-[methyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C16H20N6O3 — CID 126888823

IUPAC3-methyl-5-[4-[methyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCN(c1ccncn1)C1CCN(C(=O)c2c[nH]c(=O)n(C)c2=O)CC1
InChIInChI=1S/C16H20N6O3/c1-20(13-3-6-17-10-19-13)11-4-7-22(8-5-11)15(24)12-9-18-16(25)21(2)14(12)23/h3,6,9-11H,4-5,7-8H2,1-2H3,(H,18,25)
InChIKeyLRWYHWSNZUCQRQ-UHFFFAOYSA-N
MW344.38 g/mol
LogP-0.40
Rot. Bonds3

About 3-methyl-5-[4-[methyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

3-methyl-5-[4-[methyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 126888823) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is 3-methyl-5-[4-[methyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-[4-[methyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID126888823
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Name3-methyl-5-[4-[methyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCN(c1ccncn1)C1CCN(C(=O)c2c[nH]c(=O)n(C)c2=O)CC1
InChIInChI=1S/C16H20N6O3/c1-20(13-3-6-17-10-19-13)11-4-7-22(8-5-11)15(24)12-9-18-16(25)21(2)14(12)23/h3,6,9-11H,4-5,7-8H2,1-2H3,(H,18,25)
InChIKeyLRWYHWSNZUCQRQ-UHFFFAOYSA-N
XLogP-0.40
TPSA104.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-[methyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-[4-[methyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 126888823) is 3-methyl-5-[4-[methyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-[4-[methyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-[4-[methyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is CN(c1ccncn1)C1CCN(C(=O)c2c[nH]c(=O)n(C)c2=O)CC1.
What is the InChIKey of 3-methyl-5-[4-[methyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is LRWYHWSNZUCQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-20(13-3-6-17-10-19-13)11-4-7-22(8-5-11)15(24)12-9-18-16(25)21(2)14(12)23/h3,6,9-11H,4-5,7-8H2,1-2H3,(H,18,25).
What are the key properties of 3-methyl-5-[4-[methyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
3-methyl-5-[4-[methyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 344.38 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-[methyl(pyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 126888823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).