5-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C14H19N5O2 — CID 43678428

IUPAC5-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(C)c1ccncc1NCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H19N5O2/c1-17(2)12-5-6-15-8-11(12)16-7-10-9-18(3)14(21)19(4)13(10)20/h5-6,8-9,16H,7H2,1-4H3
InChIKeyWPSLRIYXRYFLKT-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.16
Rot. Bonds4

About 5-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 43678428) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID43678428
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name5-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCN(C)c1ccncc1NCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H19N5O2/c1-17(2)12-5-6-15-8-11(12)16-7-10-9-18(3)14(21)19(4)13(10)20/h5-6,8-9,16H,7H2,1-4H3
InChIKeyWPSLRIYXRYFLKT-UHFFFAOYSA-N
XLogP0.16
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 43678428) is 5-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is CN(C)c1ccncc1NCc1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is WPSLRIYXRYFLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-17(2)12-5-6-15-8-11(12)16-7-10-9-18(3)14(21)19(4)13(10)20/h5-6,8-9,16H,7H2,1-4H3.
What are the key properties of 5-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 289.34 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 43678428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).