2-(1-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one

C8H13N3O2 — CID 105440515

IUPAC2-(1-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one
SMILESCOc1nc(C(C)N)[nH]c(=O)c1C
InChIInChI=1S/C8H13N3O2/c1-4-7(12)10-6(5(2)9)11-8(4)13-3/h5H,9H2,1-3H3,(H,10,11,12)
InChIKeyCSFJQKPDGVMGMQ-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.11
Rot. Bonds2

About 2-(1-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one

2-(1-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 105440515) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(1-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one
PubChem CID105440515
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(1-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one
SMILESCOc1nc(C(C)N)[nH]c(=O)c1C
InChIInChI=1S/C8H13N3O2/c1-4-7(12)10-6(5(2)9)11-8(4)13-3/h5H,9H2,1-3H3,(H,10,11,12)
InChIKeyCSFJQKPDGVMGMQ-UHFFFAOYSA-N
XLogP0.11
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Aminomethyl)-6-hydroxy-5-methyl-3,4-dihydropyrimidin-4-one
CID 63553554
2-(1-aminoethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63553557
2-(1-amino-2,2-dimethylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63553559
4-hydroxy-5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 63553742
2-(1-Aminoethyl)-6-hydroxy-5-methyl-3,4-dihydropyrimidin-4-one
CID 63553914
2-[(cyclopropylamino)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63554288
2-(2-aminopropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63554646
2-(1-Aminopropyl)-5-ethyl-6-hydroxypyrimidin-4(3H)-one
CID 63554812
2-(1-Aminopropyl)-6-hydroxy-5-methylpyrimidin-4(3H)-one
CID 63555002
2-(1-aminobutyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63555531
2-(1-amino-2-methylpropyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63555878
2-(ethylaminomethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63556232

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one (CID 105440515) is 2-(1-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one is COc1nc(C(C)N)[nH]c(=O)c1C.
What is the InChIKey of 2-(1-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is CSFJQKPDGVMGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-4-7(12)10-6(5(2)9)11-8(4)13-3/h5H,9H2,1-3H3,(H,10,11,12).
What are the key properties of 2-(1-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one?
2-(1-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-4-methoxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 105440515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).