3-amino-1-(4-methoxy-6-methylpyrimidin-5-yl)propan-1-one

C9H13N3O2 — CID 82657255

IUPAC3-amino-1-(4-methoxy-6-methylpyrimidin-5-yl)propan-1-one
SMILESCOc1ncnc(C)c1C(=O)CCN
InChIInChI=1S/C9H13N3O2/c1-6-8(7(13)3-4-10)9(14-2)12-5-11-6/h5H,3-4,10H2,1-2H3
InChIKeyJROVFERYIHABAG-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.33
Rot. Bonds4

About 3-amino-1-(4-methoxy-6-methylpyrimidin-5-yl)propan-1-one

3-amino-1-(4-methoxy-6-methylpyrimidin-5-yl)propan-1-one (PubChem CID 82657255) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-amino-1-(4-methoxy-6-methylpyrimidin-5-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-methoxy-6-methylpyrimidin-5-yl)propan-1-one
PubChem CID82657255
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-amino-1-(4-methoxy-6-methylpyrimidin-5-yl)propan-1-one
SMILESCOc1ncnc(C)c1C(=O)CCN
InChIInChI=1S/C9H13N3O2/c1-6-8(7(13)3-4-10)9(14-2)12-5-11-6/h5H,3-4,10H2,1-2H3
InChIKeyJROVFERYIHABAG-UHFFFAOYSA-N
XLogP0.33
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2,2-Difluorobutoxy)-6-ethylpyrimidin-5-yl]ethanone
CID 126711019
1-[4-(2,2-Difluoropropoxy)-6-ethylpyrimidin-5-yl]ethanone
CID 154949232
3-[4-Methoxy-6-(trifluoromethyl)pyrimidin-5-yl]propan-1-amine
CID 105495723
4-Cyclopropyl-6-methoxypyrimidine-5-carboxylic acid
CID 82401433
4-Cyclopropyl-6-methoxypyrimidine-5-carbaldehyde
CID 83482118
2-Amino-4-methyl-6,7-dihydropyrano[2,3-d]pyrimidin-5-one
CID 90064102
4,7-Dimethylpyrano[2,3-d]pyrimidin-5-one
CID 117960309
(E)-3-(dimethylamino)-1-(4-methoxy-6-methylpyrimidin-5-yl)prop-2-en-1-one
CID 134427632
Ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone
CID 145128595
5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone
CID 167544580
1-(4-Butoxy-2-chloro-6-methylpyrimidin-5-yl)propan-1-one
CID 170185896
1-(6-Methoxy-5-methylpyrimidin-4-yl)propan-2-amine
CID 66324691

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-methoxy-6-methylpyrimidin-5-yl)propan-1-one?
The IUPAC name of 3-amino-1-(4-methoxy-6-methylpyrimidin-5-yl)propan-1-one (CID 82657255) is 3-amino-1-(4-methoxy-6-methylpyrimidin-5-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(4-methoxy-6-methylpyrimidin-5-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(4-methoxy-6-methylpyrimidin-5-yl)propan-1-one is COc1ncnc(C)c1C(=O)CCN.
What is the InChIKey of 3-amino-1-(4-methoxy-6-methylpyrimidin-5-yl)propan-1-one?
The InChIKey is JROVFERYIHABAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6-8(7(13)3-4-10)9(14-2)12-5-11-6/h5H,3-4,10H2,1-2H3.
What are the key properties of 3-amino-1-(4-methoxy-6-methylpyrimidin-5-yl)propan-1-one?
3-amino-1-(4-methoxy-6-methylpyrimidin-5-yl)propan-1-one has a molecular weight of 195.22 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-methoxy-6-methylpyrimidin-5-yl)propan-1-one is sourced from PubChem (CID 82657255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).