5-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C13H19N5O3 — CID 43728868

IUPAC5-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOCCn1cc(NCc2cn(C)c(=O)n(C)c2=O)cn1
InChIInChI=1S/C13H19N5O3/c1-16-8-10(12(19)17(2)13(16)20)6-14-11-7-15-18(9-11)4-5-21-3/h7-9,14H,4-6H2,1-3H3
InChIKeyJQTJKMDPCRAGBB-UHFFFAOYSA-N
MW293.33 g/mol
LogP-0.46
Rot. Bonds6

About 5-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 43728868) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID43728868
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name5-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOCCn1cc(NCc2cn(C)c(=O)n(C)c2=O)cn1
InChIInChI=1S/C13H19N5O3/c1-16-8-10(12(19)17(2)13(16)20)6-14-11-7-15-18(9-11)4-5-21-3/h7-9,14H,4-6H2,1-3H3
InChIKeyJQTJKMDPCRAGBB-UHFFFAOYSA-N
XLogP-0.46
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenyl]acetamide
CID 66418036
N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729152
1-(2-methoxyethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-amine
CID 43728941
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 75384478
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729032
4-fluoro-2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenol
CID 103947895
5-(anilinomethyl)-1,3-dimethylpyrimidine-2,4-dione
CID 28610058
1-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 43728903
1-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrazol-4-amine
CID 43728977
1-(2-methoxyethyl)-N-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-amine
CID 103347582
N-[(3,4-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43787752
1-(2-methoxyethyl)-N-[(5-methyl-2-pyridinyl)methyl]pyrazol-4-amine
CID 81312279

Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 43728868) is 5-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is COCCn1cc(NCc2cn(C)c(=O)n(C)c2=O)cn1.
What is the InChIKey of 5-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is JQTJKMDPCRAGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-16-8-10(12(19)17(2)13(16)20)6-14-11-7-15-18(9-11)4-5-21-3/h7-9,14H,4-6H2,1-3H3.
What are the key properties of 5-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 293.33 g/mol, XLogP of -0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 43728868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).