5-amino-2-(dimethylamino)-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one

C8H15N5O2 — CID 135850750

IUPAC5-amino-2-(dimethylamino)-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one
SMILESCC(O)Nc1nc(N(C)C)[nH]c(=O)c1N
InChIInChI=1S/C8H15N5O2/c1-4(14)10-6-5(9)7(15)12-8(11-6)13(2)3/h4,14H,9H2,1-3H3,(H2,10,11,12,15)
InChIKeyOKXJCVJSRMODPY-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.83
Rot. Bonds3

About 5-amino-2-(dimethylamino)-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one

5-amino-2-(dimethylamino)-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one (PubChem CID 135850750) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one
PubChem CID135850750
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Name5-amino-2-(dimethylamino)-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one
SMILESCC(O)Nc1nc(N(C)C)[nH]c(=O)c1N
InChIInChI=1S/C8H15N5O2/c1-4(14)10-6-5(9)7(15)12-8(11-6)13(2)3/h4,14H,9H2,1-3H3,(H2,10,11,12,15)
InChIKeyOKXJCVJSRMODPY-UHFFFAOYSA-N
XLogP-0.83
TPSA107.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-2-(dimethylamino)-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one (CID 135850750) is 5-amino-2-(dimethylamino)-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-2-(dimethylamino)-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-2-(dimethylamino)-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one is CC(O)Nc1nc(N(C)C)[nH]c(=O)c1N.
What is the InChIKey of 5-amino-2-(dimethylamino)-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one?
The InChIKey is OKXJCVJSRMODPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-4(14)10-6-5(9)7(15)12-8(11-6)13(2)3/h4,14H,9H2,1-3H3,(H2,10,11,12,15).
What are the key properties of 5-amino-2-(dimethylamino)-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one?
5-amino-2-(dimethylamino)-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one has a molecular weight of 213.24 g/mol, XLogP of -0.83, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dimethylamino)-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135850750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).