4-amino-5-(2-hydroxyethyl)-2-methyl-1H-pyrimidin-6-one

C7H11N3O2 — CID 137286206

IUPAC4-amino-5-(2-hydroxyethyl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)c(CCO)c(=O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-4-9-6(8)5(2-3-11)7(12)10-4/h11H,2-3H2,1H3,(H3,8,9,10,12)
InChIKeyKJVCYVAKYJWLDM-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.80
Rot. Bonds2

About 4-amino-5-(2-hydroxyethyl)-2-methyl-1H-pyrimidin-6-one

4-amino-5-(2-hydroxyethyl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 137286206) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-amino-5-(2-hydroxyethyl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-(2-hydroxyethyl)-2-methyl-1H-pyrimidin-6-one
PubChem CID137286206
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4-amino-5-(2-hydroxyethyl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)c(CCO)c(=O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-4-9-6(8)5(2-3-11)7(12)10-4/h11H,2-3H2,1H3,(H3,8,9,10,12)
InChIKeyKJVCYVAKYJWLDM-UHFFFAOYSA-N
XLogP-0.80
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 ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-hydroxyethyl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-(2-hydroxyethyl)-2-methyl-1H-pyrimidin-6-one (CID 137286206) is 4-amino-5-(2-hydroxyethyl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-(2-hydroxyethyl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-(2-hydroxyethyl)-2-methyl-1H-pyrimidin-6-one is Cc1nc(N)c(CCO)c(=O)[nH]1.
What is the InChIKey of 4-amino-5-(2-hydroxyethyl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is KJVCYVAKYJWLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4-9-6(8)5(2-3-11)7(12)10-4/h11H,2-3H2,1H3,(H3,8,9,10,12).
What are the key properties of 4-amino-5-(2-hydroxyethyl)-2-methyl-1H-pyrimidin-6-one?
4-amino-5-(2-hydroxyethyl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 169.18 g/mol, XLogP of -0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-hydroxyethyl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137286206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).