4-[2-aminoethyl(methyl)amino]-1H-pyrimidin-6-one

C7H12N4O — CID 136977875

IUPAC4-[2-aminoethyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(CCN)c1cc(=O)[nH]cn1
InChIInChI=1S/C7H12N4O/c1-11(3-2-8)6-4-7(12)10-5-9-6/h4-5H,2-3,8H2,1H3,(H,9,10,12)
InChIKeyDGCDEPZOVYORDO-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.84
Rot. Bonds3

About 4-[2-aminoethyl(methyl)amino]-1H-pyrimidin-6-one

4-[2-aminoethyl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 136977875) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-[2-aminoethyl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-aminoethyl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID136977875
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name4-[2-aminoethyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(CCN)c1cc(=O)[nH]cn1
InChIInChI=1S/C7H12N4O/c1-11(3-2-8)6-4-7(12)10-5-9-6/h4-5H,2-3,8H2,1H3,(H,9,10,12)
InChIKeyDGCDEPZOVYORDO-UHFFFAOYSA-N
XLogP-0.84
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-6-(dimethylamino)pyrimidin-4-ol
CID 135442218
6-Amino-2-(methylamino)pyrimidin-4-ol
CID 135455590
2-Amino-6-(methylamino)pyrimidin-4-ol
CID 135577492
6-(Methylamino)pyrimidin-4-ol
CID 135481447
2-Amino-6-(4-methyl-1-piperazinyl)-4(3h)-pyrimidinone
CID 135897837
4-Amino-2-dimethylamino-6-hydroxypyrimidine
CID 135431314
3-Methyl-6-(methylamino)-4(3H)-pyrimidinone
CID 55288147
6-(Dimethylamino)-4(3H)-pyrimidinone
CID 135755308
5-Amino-6-(ethylamino)-4(3h)-pyrimidinone
CID 135786481
6-piperazin-1-yl-3H-pyrimidin-4-one
CID 136102540
4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
2-Amino-6-(propylamino)pyrimidin-4(1h)-one
CID 135408601

Frequently Asked Questions

What is the IUPAC name of 4-[2-aminoethyl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-aminoethyl(methyl)amino]-1H-pyrimidin-6-one (CID 136977875) is 4-[2-aminoethyl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-aminoethyl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-aminoethyl(methyl)amino]-1H-pyrimidin-6-one is CN(CCN)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[2-aminoethyl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is DGCDEPZOVYORDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-11(3-2-8)6-4-7(12)10-5-9-6/h4-5H,2-3,8H2,1H3,(H,9,10,12).
What are the key properties of 4-[2-aminoethyl(methyl)amino]-1H-pyrimidin-6-one?
4-[2-aminoethyl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 168.20 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-aminoethyl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136977875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).