(NZ)-N-[[4-amino-6-(1-phenylethylamino)pyrimidin-5-yl]methylidene]hydroxylamine

C13H15N5O — CID 87198649

IUPAC(NZ)-N-[[4-amino-6-(1-phenylethylamino)pyrimidin-5-yl]methylidene]hydroxylamine
SMILESCC(Nc1ncnc(N)c1/C=N\O)c1ccccc1
InChIInChI=1S/C13H15N5O/c1-9(10-5-3-2-4-6-10)18-13-11(7-17-19)12(14)15-8-16-13/h2-9,19H,1H3,(H3,14,15,16,18)/b17-7-
InChIKeyCCVPLAOACAYQEU-IDUWFGFVSA-N
MW257.30 g/mol
LogP2.04
Rot. Bonds4

About (NZ)-N-[[4-amino-6-(1-phenylethylamino)pyrimidin-5-yl]methylidene]hydroxylamine

(NZ)-N-[[4-amino-6-(1-phenylethylamino)pyrimidin-5-yl]methylidene]hydroxylamine (PubChem CID 87198649) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is (NZ)-N-[[4-amino-6-(1-phenylethylamino)pyrimidin-5-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[4-amino-6-(1-phenylethylamino)pyrimidin-5-yl]methylidene]hydroxylamine
PubChem CID87198649
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name(NZ)-N-[[4-amino-6-(1-phenylethylamino)pyrimidin-5-yl]methylidene]hydroxylamine
SMILESCC(Nc1ncnc(N)c1/C=N\O)c1ccccc1
InChIInChI=1S/C13H15N5O/c1-9(10-5-3-2-4-6-10)18-13-11(7-17-19)12(14)15-8-16-13/h2-9,19H,1H3,(H3,14,15,16,18)/b17-7-
InChIKeyCCVPLAOACAYQEU-IDUWFGFVSA-N
XLogP2.04
TPSA96.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[[4-amino-6-(1-phenylethylamino)pyrimidin-5-yl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[4-amino-6-(1-phenylethylamino)pyrimidin-5-yl]methylidene]hydroxylamine (CID 87198649) is (NZ)-N-[[4-amino-6-(1-phenylethylamino)pyrimidin-5-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[4-amino-6-(1-phenylethylamino)pyrimidin-5-yl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[4-amino-6-(1-phenylethylamino)pyrimidin-5-yl]methylidene]hydroxylamine is CC(Nc1ncnc(N)c1/C=N\O)c1ccccc1.
What is the InChIKey of (NZ)-N-[[4-amino-6-(1-phenylethylamino)pyrimidin-5-yl]methylidene]hydroxylamine?
The InChIKey is CCVPLAOACAYQEU-IDUWFGFVSA-N. The full InChI is InChI=1S/C13H15N5O/c1-9(10-5-3-2-4-6-10)18-13-11(7-17-19)12(14)15-8-16-13/h2-9,19H,1H3,(H3,14,15,16,18)/b17-7-.
What are the key properties of (NZ)-N-[[4-amino-6-(1-phenylethylamino)pyrimidin-5-yl]methylidene]hydroxylamine?
(NZ)-N-[[4-amino-6-(1-phenylethylamino)pyrimidin-5-yl]methylidene]hydroxylamine has a molecular weight of 257.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[4-amino-6-(1-phenylethylamino)pyrimidin-5-yl]methylidene]hydroxylamine is sourced from PubChem (CID 87198649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).