N-[2-amino-4-(2-hydroxyethylamino)-6-oxo-1H-pyrimidin-5-yl]formamide

C7H11N5O3 — CID 135538366

IUPACN-[2-amino-4-(2-hydroxyethylamino)-6-oxo-1H-pyrimidin-5-yl]formamide
SMILESNc1nc(NCCO)c(NC=O)c(=O)[nH]1
InChIInChI=1S/C7H11N5O3/c8-7-11-5(9-1-2-13)4(10-3-14)6(15)12-7/h3,13H,1-2H2,(H,10,14)(H4,8,9,11,12,15)
InChIKeyUQYHXLXFQRFMQG-UHFFFAOYSA-N
MW213.20 g/mol
LogP-1.68
Rot. Bonds5

About N-[2-amino-4-(2-hydroxyethylamino)-6-oxo-1H-pyrimidin-5-yl]formamide

N-[2-amino-4-(2-hydroxyethylamino)-6-oxo-1H-pyrimidin-5-yl]formamide (PubChem CID 135538366) has the molecular formula C7H11N5O3 and a molecular weight of 213.20 g/mol. Its IUPAC name is N-[2-amino-4-(2-hydroxyethylamino)-6-oxo-1H-pyrimidin-5-yl]formamide.

Molecular Properties

Compound NameN-[2-amino-4-(2-hydroxyethylamino)-6-oxo-1H-pyrimidin-5-yl]formamide
PubChem CID135538366
Molecular FormulaC7H11N5O3
Molecular Weight213.20 g/mol
Exact Mass213.09
IUPAC NameN-[2-amino-4-(2-hydroxyethylamino)-6-oxo-1H-pyrimidin-5-yl]formamide
SMILESNc1nc(NCCO)c(NC=O)c(=O)[nH]1
InChIInChI=1S/C7H11N5O3/c8-7-11-5(9-1-2-13)4(10-3-14)6(15)12-7/h3,13H,1-2H2,(H,10,14)(H4,8,9,11,12,15)
InChIKeyUQYHXLXFQRFMQG-UHFFFAOYSA-N
XLogP-1.68
TPSA133.13 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-1.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-(Hydroxymethyl)tetrahydropterin
CID 135484783
Ring-opened 7-(2-hydroxyethyl)guanine
CID 135854983
2-Amino-6-((2-hydroxyethyl)amino)-5-nitroso-4-pyrimidinol
CID 135444420
2-amino-6-(hydroxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydrochloride
CID 135510088
2-Amino-7-hydroxy-4-oxo-3,6,7,8-tetrahydropteridine-5-carbaldehyde
CID 136493793
N-[2-amino-6-oxo-4-(propylamino)-1H-pyrimidin-5-yl]formamide
CID 135500494
N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)formamide
CID 11629665
5-amino-2-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 20570049
2,5-Diamino-6-(1-hydroxyethylamino)-3-methylpyrimidin-4-one
CID 21415604
2,5-Diamino-6-((2-hydroxyethyl)amino)-3-methylpyrimidin-4(3H)-one
CID 70633393
2,5-diamino-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one
CID 135850745
5-amino-2-(dimethylamino)-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one
CID 135850750

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(2-hydroxyethylamino)-6-oxo-1H-pyrimidin-5-yl]formamide?
The IUPAC name of N-[2-amino-4-(2-hydroxyethylamino)-6-oxo-1H-pyrimidin-5-yl]formamide (CID 135538366) is N-[2-amino-4-(2-hydroxyethylamino)-6-oxo-1H-pyrimidin-5-yl]formamide.
What is the SMILES notation for N-[2-amino-4-(2-hydroxyethylamino)-6-oxo-1H-pyrimidin-5-yl]formamide?
The canonical SMILES for N-[2-amino-4-(2-hydroxyethylamino)-6-oxo-1H-pyrimidin-5-yl]formamide is Nc1nc(NCCO)c(NC=O)c(=O)[nH]1.
What is the InChIKey of N-[2-amino-4-(2-hydroxyethylamino)-6-oxo-1H-pyrimidin-5-yl]formamide?
The InChIKey is UQYHXLXFQRFMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3/c8-7-11-5(9-1-2-13)4(10-3-14)6(15)12-7/h3,13H,1-2H2,(H,10,14)(H4,8,9,11,12,15).
What are the key properties of N-[2-amino-4-(2-hydroxyethylamino)-6-oxo-1H-pyrimidin-5-yl]formamide?
N-[2-amino-4-(2-hydroxyethylamino)-6-oxo-1H-pyrimidin-5-yl]formamide has a molecular weight of 213.20 g/mol, XLogP of -1.68, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(2-hydroxyethylamino)-6-oxo-1H-pyrimidin-5-yl]formamide is sourced from PubChem (CID 135538366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).