6-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione

C13H17N5O2 — CID 82739473

IUPAC6-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione
SMILESCCc1cccnc1CNc1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C13H17N5O2/c1-3-8-5-4-6-15-9(8)7-16-10-11(14)18(2)13(20)17-12(10)19/h4-6,16H,3,7,14H2,1-2H3,(H,17,19,20)
InChIKeyJFRWEZRLKHCXNT-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.23
Rot. Bonds4

About 6-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione

6-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione (PubChem CID 82739473) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione
PubChem CID82739473
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name6-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione
SMILESCCc1cccnc1CNc1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C13H17N5O2/c1-3-8-5-4-6-15-9(8)7-16-10-11(14)18(2)13(20)17-12(10)19/h4-6,16H,3,7,14H2,1-2H3,(H,17,19,20)
InChIKeyJFRWEZRLKHCXNT-UHFFFAOYSA-N
XLogP0.23
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-methylpyrimidine-2,4-dione
CID 115887019
6-amino-1-methyl-5-(pyrimidin-4-ylmethylamino)pyrimidine-2,4-dione
CID 114111521
6-amino-1-methyl-5-(2-pyrazol-1-ylethylamino)pyrimidine-2,4-dione
CID 61067211
2,6-dichloro-1-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine
CID 106890669
6-amino-1-methyl-5-[(5-methyl-1,3-thiazol-2-yl)methylamino]pyrimidine-2,4-dione
CID 103703856
6-amino-1-methyl-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-2,4-dione
CID 103736695
6-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione
CID 60710951
6-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyrimidine-2,4-dione
CID 113222252
2,3-diethylpyridine
CID 14747123
7-[(3-ethyl-2-pyridinyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 82740487
2-ethyl-4-[(3-ethyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136976617
6-amino-1-methyl-5-(2-methylsulfonylethylamino)pyrimidine-2,4-dione
CID 54935174

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione (CID 82739473) is 6-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione is CCc1cccnc1CNc1c(N)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione?
The InChIKey is JFRWEZRLKHCXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-3-8-5-4-6-15-9(8)7-16-10-11(14)18(2)13(20)17-12(10)19/h4-6,16H,3,7,14H2,1-2H3,(H,17,19,20).
What are the key properties of 6-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione?
6-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione has a molecular weight of 275.31 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(3-ethyl-2-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 82739473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).