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

C12H15N5O3 — CID 60710951

IUPAC6-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione
SMILESCOc1ccc(CNc2c(N)n(C)c(=O)[nH]c2=O)cn1
InChIInChI=1S/C12H15N5O3/c1-17-10(13)9(11(18)16-12(17)19)15-6-7-3-4-8(20-2)14-5-7/h3-5,15H,6,13H2,1-2H3,(H,16,18,19)
InChIKeyAWNFQVMWVHUBCM-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.33
Rot. Bonds4

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

6-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione (PubChem CID 60710951) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 6-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione
PubChem CID60710951
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name6-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione
SMILESCOc1ccc(CNc2c(N)n(C)c(=O)[nH]c2=O)cn1
InChIInChI=1S/C12H15N5O3/c1-17-10(13)9(11(18)16-12(17)19)15-6-7-3-4-8(20-2)14-5-7/h3-5,15H,6,13H2,1-2H3,(H,16,18,19)
InChIKeyAWNFQVMWVHUBCM-UHFFFAOYSA-N
XLogP-0.33
TPSA115.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-1-methyl-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-2,4-dione
CID 103736695
2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine
CID 62989885
4-N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1H-imidazole-4,5-diamine
CID 114993686
6-amino-1-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyrimidine-2,4-dione
CID 113222252
2,4,6-tribromo-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936392
2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine
CID 62989531
5-bromo-4-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one
CID 113220323
4-[(6-methoxy-3-pyridinyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136975577
6-amino-5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-methylpyrimidine-2,4-dione
CID 115887019
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 80831883
N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine
CID 107588350

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione (CID 60710951) is 6-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione is COc1ccc(CNc2c(N)n(C)c(=O)[nH]c2=O)cn1.
What is the InChIKey of 6-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione?
The InChIKey is AWNFQVMWVHUBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-17-10(13)9(11(18)16-12(17)19)15-6-7-3-4-8(20-2)14-5-7/h3-5,15H,6,13H2,1-2H3,(H,16,18,19).
What are the key properties of 6-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione?
6-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione has a molecular weight of 277.28 g/mol, XLogP of -0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 60710951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).