2-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one

C8H14N4O3 — CID 136776198

IUPAC2-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one
SMILESCOC(CNc1cc(=O)[nH]c(N)n1)OC
InChIInChI=1S/C8H14N4O3/c1-14-7(15-2)4-10-5-3-6(13)12-8(9)11-5/h3,7H,4H2,1-2H3,(H4,9,10,11,12,13)
InChIKeyCUHIWARGFIDTLC-UHFFFAOYSA-N
MW214.23 g/mol
LogP-0.62
Rot. Bonds5

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

2-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one (PubChem CID 136776198) has the molecular formula C8H14N4O3 and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one
PubChem CID136776198
Molecular FormulaC8H14N4O3
Molecular Weight214.23 g/mol
Exact Mass214.11
IUPAC Name2-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one
SMILESCOC(CNc1cc(=O)[nH]c(N)n1)OC
InChIInChI=1S/C8H14N4O3/c1-14-7(15-2)4-10-5-3-6(13)12-8(9)11-5/h3,7H,4H2,1-2H3,(H4,9,10,11,12,13)
InChIKeyCUHIWARGFIDTLC-UHFFFAOYSA-N
XLogP-0.62
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
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 2-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one (CID 136776198) is 2-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one is COC(CNc1cc(=O)[nH]c(N)n1)OC.
What is the InChIKey of 2-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one?
The InChIKey is CUHIWARGFIDTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-14-7(15-2)4-10-5-3-6(13)12-8(9)11-5/h3,7H,4H2,1-2H3,(H4,9,10,11,12,13).
What are the key properties of 2-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one?
2-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one has a molecular weight of 214.23 g/mol, XLogP of -0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,2-dimethoxyethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136776198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).