N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)formamide

C7H11N5O3 — CID 135854983

IUPACN-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)formamide
SMILESNc1nc(N)c(N(C=O)CCO)c(=O)[nH]1
InChIInChI=1S/C7H11N5O3/c8-5-4(12(3-14)1-2-13)6(15)11-7(9)10-5/h3,13H,1-2H2,(H5,8,9,10,11,15)
InChIKeyKUWUYPNCVMEKRB-UHFFFAOYSA-N
MW213.20 g/mol
LogP-2.11
Rot. Bonds4

About N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)formamide

N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)formamide (PubChem CID 135854983) has the molecular formula C7H11N5O3 and a molecular weight of 213.20 g/mol. Its IUPAC name is N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)formamide.

Molecular Properties

Compound NameN-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)formamide
PubChem CID135854983
Molecular FormulaC7H11N5O3
Molecular Weight213.20 g/mol
Exact Mass213.09
IUPAC NameN-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)formamide
SMILESNc1nc(N)c(N(C=O)CCO)c(=O)[nH]1
InChIInChI=1S/C7H11N5O3/c8-5-4(12(3-14)1-2-13)6(15)11-7(9)10-5/h3,13H,1-2H2,(H5,8,9,10,11,15)
InChIKeyKUWUYPNCVMEKRB-UHFFFAOYSA-N
XLogP-2.11
TPSA138.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-2.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)formamide?
The IUPAC name of N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)formamide (CID 135854983) is N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)formamide.
What is the SMILES notation for N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)formamide?
The canonical SMILES for N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)formamide is Nc1nc(N)c(N(C=O)CCO)c(=O)[nH]1.
What is the InChIKey of N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)formamide?
The InChIKey is KUWUYPNCVMEKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3/c8-5-4(12(3-14)1-2-13)6(15)11-7(9)10-5/h3,13H,1-2H2,(H5,8,9,10,11,15).
What are the key properties of N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)formamide?
N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)formamide has a molecular weight of 213.20 g/mol, XLogP of -2.11, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-(2-hydroxyethyl)formamide is sourced from PubChem (CID 135854983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).