1,3-dimethyl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidine-2,4-dione

C13H16N4O2 — CID 28670574

IUPAC1,3-dimethyl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidine-2,4-dione
SMILESCn1cc(CNCc2ccncc2)c(=O)n(C)c1=O
InChIInChI=1S/C13H16N4O2/c1-16-9-11(12(18)17(2)13(16)19)8-15-7-10-3-5-14-6-4-10/h3-6,9,15H,7-8H2,1-2H3
InChIKeyAQRICQFINANIBI-UHFFFAOYSA-N
MW260.30 g/mol
LogP-0.23
Rot. Bonds4

About 1,3-dimethyl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidine-2,4-dione (PubChem CID 28670574) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidine-2,4-dione
PubChem CID28670574
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1,3-dimethyl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidine-2,4-dione
SMILESCn1cc(CNCc2ccncc2)c(=O)n(C)c1=O
InChIInChI=1S/C13H16N4O2/c1-16-9-11(12(18)17(2)13(16)19)8-15-7-10-3-5-14-6-4-10/h3-6,9,15H,7-8H2,1-2H3
InChIKeyAQRICQFINANIBI-UHFFFAOYSA-N
XLogP-0.23
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-5-[[(4-methylphenyl)methylamino]methyl]pyrimidine-2,4-dione
CID 28618755
1,3-dimethyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidine-2,4-dione
CID 28671943
5-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28614149
2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetic acid
CID 43135043
3-[[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]methyl]benzonitrile
CID 60918891
5-[[(5-bromothiophen-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 54900402
5-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43678428
5-(anilinomethyl)-1,3-dimethylpyrimidine-2,4-dione
CID 28610058
1,3-dimethyl-5-[[(3-methyloxetan-3-yl)methylamino]methyl]pyrimidine-2,4-dione
CID 78957401
5-[(3-cyclopentylpropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 103625241
5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 115358536
N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 115693292

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidine-2,4-dione (CID 28670574) is 1,3-dimethyl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidine-2,4-dione is Cn1cc(CNCc2ccncc2)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidine-2,4-dione?
The InChIKey is AQRICQFINANIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-16-9-11(12(18)17(2)13(16)19)8-15-7-10-3-5-14-6-4-10/h3-6,9,15H,7-8H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidine-2,4-dione has a molecular weight of 260.30 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 28670574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).