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

C7H11N3O2 — CID 63554281

IUPAC2-(2-aminoethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(CCN)[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-4-6(11)9-5(2-3-8)10-7(4)12/h2-3,8H2,1H3,(H2,9,10,11,12)
InChIKeyMWYLEAIDHMDKHQ-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.71
Rot. Bonds2

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

2-(2-aminoethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 63554281) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID63554281
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-(2-aminoethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(CCN)[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-4-6(11)9-5(2-3-8)10-7(4)12/h2-3,8H2,1H3,(H2,9,10,11,12)
InChIKeyMWYLEAIDHMDKHQ-UHFFFAOYSA-N
XLogP-0.71
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-Dimethylpyrimidine-4,6-diol
CID 237015
2-(fluoromethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 89666848
2-Tert-butyl-5-methyl-4,6-pyrimidinediol
CID 824663
2-(3-Aminopropyl)pyrimidine-4,6-diol
CID 63554638
4-hydroxy-5-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 63611761
2-(1-aminopropan-2-yl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80550491
2-(2-Aminoethyl)-5-fluoro-6-hydroxy-3,4-dihydropyrimidin-4-one
CID 80550515
2-(3-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80550600
5-fluoro-4-hydroxy-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one
CID 80550892
2-(2-aminopropyl)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80551006
5-fluoro-4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 129968516
2-Isopropyl-5-methyl-4,6-pyrimidinediol
CID 10171269

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-aminoethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 63554281) is 2-(2-aminoethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-aminoethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-aminoethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is Cc1c(O)nc(CCN)[nH]c1=O.
What is the InChIKey of 2-(2-aminoethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is MWYLEAIDHMDKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4-6(11)9-5(2-3-8)10-7(4)12/h2-3,8H2,1H3,(H2,9,10,11,12).
What are the key properties of 2-(2-aminoethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(2-aminoethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 169.18 g/mol, XLogP of -0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63554281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).