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

C6H10N4O2 — CID 135408652

IUPAC2-amino-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
SMILESNc1nc(NCCO)cc(=O)[nH]1
InChIInChI=1S/C6H10N4O2/c7-6-9-4(8-1-2-11)3-5(12)10-6/h3,11H,1-2H2,(H4,7,8,9,10,12)
InChIKeyBFYURLDNKXKHHL-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.24
Rot. Bonds3

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

2-amino-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one (PubChem CID 135408652) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-amino-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
PubChem CID135408652
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name2-amino-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
SMILESNc1nc(NCCO)cc(=O)[nH]1
InChIInChI=1S/C6H10N4O2/c7-6-9-4(8-1-2-11)3-5(12)10-6/h3,11H,1-2H2,(H4,7,8,9,10,12)
InChIKeyBFYURLDNKXKHHL-UHFFFAOYSA-N
XLogP-1.24
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one (CID 135408652) is 2-amino-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one is Nc1nc(NCCO)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
The InChIKey is BFYURLDNKXKHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c7-6-9-4(8-1-2-11)3-5(12)10-6/h3,11H,1-2H2,(H4,7,8,9,10,12).
What are the key properties of 2-amino-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one?
2-amino-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one has a molecular weight of 170.17 g/mol, XLogP of -1.24, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135408652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).