(NE)-N-[[2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]methylidene]hydroxylamine

C12H19N5O2 — CID 5329591

IUPAC(NE)-N-[[2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]methylidene]hydroxylamine
SMILESNc1nc(N)c(/C=N/O)c(OCC2CCCCC2)n1
InChIInChI=1S/C12H19N5O2/c13-10-9(6-15-18)11(17-12(14)16-10)19-7-8-4-2-1-3-5-8/h6,8,18H,1-5,7H2,(H4,13,14,16,17)/b15-6+
InChIKeyOZUCILPFVLGPOB-GIDUJCDVSA-N
MW265.32 g/mol
LogP1.41
Rot. Bonds4

About (NE)-N-[[2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]methylidene]hydroxylamine

(NE)-N-[[2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]methylidene]hydroxylamine (PubChem CID 5329591) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is (NE)-N-[[2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]methylidene]hydroxylamine
PubChem CID5329591
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name(NE)-N-[[2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]methylidene]hydroxylamine
SMILESNc1nc(N)c(/C=N/O)c(OCC2CCCCC2)n1
InChIInChI=1S/C12H19N5O2/c13-10-9(6-15-18)11(17-12(14)16-10)19-7-8-4-2-1-3-5-8/h6,8,18H,1-5,7H2,(H4,13,14,16,17)/b15-6+
InChIKeyOZUCILPFVLGPOB-GIDUJCDVSA-N
XLogP1.41
TPSA119.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 (NE)-N-[[2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]methylidene]hydroxylamine (CID 5329591) is (NE)-N-[[2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]methylidene]hydroxylamine is Nc1nc(N)c(/C=N/O)c(OCC2CCCCC2)n1.
What is the InChIKey of (NE)-N-[[2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]methylidene]hydroxylamine?
The InChIKey is OZUCILPFVLGPOB-GIDUJCDVSA-N. The full InChI is InChI=1S/C12H19N5O2/c13-10-9(6-15-18)11(17-12(14)16-10)19-7-8-4-2-1-3-5-8/h6,8,18H,1-5,7H2,(H4,13,14,16,17)/b15-6+.
What are the key properties of (NE)-N-[[2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]methylidene]hydroxylamine?
(NE)-N-[[2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]methylidene]hydroxylamine has a molecular weight of 265.32 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[2,4-diamino-6-(cyclohexylmethoxy)pyrimidin-5-yl]methylidene]hydroxylamine is sourced from PubChem (CID 5329591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).