2-amino-4-(2-hydroxyethoxymethylamino)-5-(methylideneamino)-1H-pyrimidin-6-one

C8H13N5O3 — CID 143542735

IUPAC2-amino-4-(2-hydroxyethoxymethylamino)-5-(methylideneamino)-1H-pyrimidin-6-one
SMILESC=Nc1c(NCOCCO)nc(N)[nH]c1=O
InChIInChI=1S/C8H13N5O3/c1-10-5-6(11-4-16-3-2-14)12-8(9)13-7(5)15/h14H,1-4H2,(H4,9,11,12,13,15)
InChIKeyUBWMOFBBEPRIQU-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.94
Rot. Bonds6

About 2-amino-4-(2-hydroxyethoxymethylamino)-5-(methylideneamino)-1H-pyrimidin-6-one

2-amino-4-(2-hydroxyethoxymethylamino)-5-(methylideneamino)-1H-pyrimidin-6-one (PubChem CID 143542735) has the molecular formula C8H13N5O3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-amino-4-(2-hydroxyethoxymethylamino)-5-(methylideneamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(2-hydroxyethoxymethylamino)-5-(methylideneamino)-1H-pyrimidin-6-one
PubChem CID143542735
Molecular FormulaC8H13N5O3
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC Name2-amino-4-(2-hydroxyethoxymethylamino)-5-(methylideneamino)-1H-pyrimidin-6-one
SMILESC=Nc1c(NCOCCO)nc(N)[nH]c1=O
InChIInChI=1S/C8H13N5O3/c1-10-5-6(11-4-16-3-2-14)12-8(9)13-7(5)15/h14H,1-4H2,(H4,9,11,12,13,15)
InChIKeyUBWMOFBBEPRIQU-UHFFFAOYSA-N
XLogP-0.94
TPSA125.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-Amino-9-(2-hydroxyethoxymethyl)-1-methyl-7,8-dihydropurin-6-one
CID 20242040
7-Methyl-9-(2-hydroxyethoxymethyl)guanine iodide
CID 135754930
7-Methyl-9-(2-hydroxyethoxymethyl)guanine
CID 135754931
2-amino-9-(2-hydroxyethoxymethyl)-7,8-dihydro-1H-purin-6-one
CID 135761770
2-amino-9-[2-(2-hydroxyethoxy)ethoxymethyl]-7,8-dihydro-1H-purin-6-one
CID 136447396
9-(2-hydroxyethoxymethyl)-7,8-dihydro-1H-purin-6-one
CID 136461582
2-amino-9-[1-(2-hydroxyethoxy)ethyl]-7,8-dihydro-1H-purin-6-one
CID 136466244
N-[9-(2-hydroxyethoxymethyl)-6-oxo-7,8-dihydro-1H-purin-2-yl]acetamide
CID 136468557
2-amino-4-[[(1R)-1-(2-hydroxyethoxy)propyl]amino]-5-(methylamino)-1H-pyrimidin-6-one
CID 136471665
2-amino-5-hydrazinyl-4-(2-hydroxyethoxymethylamino)-1H-pyrimidin-6-one
CID 137199084
2-amino-4-[2-hydroxyethoxymethyl(methyl)amino]-5-(methylideneamino)-1H-pyrimidin-6-one
CID 137301351
5-amino-4-(2-hydroxyethoxy)-1H-pyrimidin-6-one
CID 103240753

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-hydroxyethoxymethylamino)-5-(methylideneamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(2-hydroxyethoxymethylamino)-5-(methylideneamino)-1H-pyrimidin-6-one (CID 143542735) is 2-amino-4-(2-hydroxyethoxymethylamino)-5-(methylideneamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(2-hydroxyethoxymethylamino)-5-(methylideneamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(2-hydroxyethoxymethylamino)-5-(methylideneamino)-1H-pyrimidin-6-one is C=Nc1c(NCOCCO)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-4-(2-hydroxyethoxymethylamino)-5-(methylideneamino)-1H-pyrimidin-6-one?
The InChIKey is UBWMOFBBEPRIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O3/c1-10-5-6(11-4-16-3-2-14)12-8(9)13-7(5)15/h14H,1-4H2,(H4,9,11,12,13,15).
What are the key properties of 2-amino-4-(2-hydroxyethoxymethylamino)-5-(methylideneamino)-1H-pyrimidin-6-one?
2-amino-4-(2-hydroxyethoxymethylamino)-5-(methylideneamino)-1H-pyrimidin-6-one has a molecular weight of 227.22 g/mol, XLogP of -0.94, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-hydroxyethoxymethylamino)-5-(methylideneamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 143542735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).