(NE)-N-[1-(2-aminopyrimidin-4-yl)propan-2-ylidene]hydroxylamine

C7H10N4O — CID 87327112

IUPAC(NE)-N-[1-(2-aminopyrimidin-4-yl)propan-2-ylidene]hydroxylamine
SMILESC/C(Cc1ccnc(N)n1)=N\O
InChIInChI=1S/C7H10N4O/c1-5(11-12)4-6-2-3-9-7(8)10-6/h2-3,12H,4H2,1H3,(H2,8,9,10)/b11-5+
InChIKeyKQLUJTBGSULDQS-VZUCSPMQSA-N
MW166.18 g/mol
LogP0.45
Rot. Bonds2

About (NE)-N-[1-(2-aminopyrimidin-4-yl)propan-2-ylidene]hydroxylamine

(NE)-N-[1-(2-aminopyrimidin-4-yl)propan-2-ylidene]hydroxylamine (PubChem CID 87327112) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is (NE)-N-[1-(2-aminopyrimidin-4-yl)propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(2-aminopyrimidin-4-yl)propan-2-ylidene]hydroxylamine
PubChem CID87327112
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name(NE)-N-[1-(2-aminopyrimidin-4-yl)propan-2-ylidene]hydroxylamine
SMILESC/C(Cc1ccnc(N)n1)=N\O
InChIInChI=1S/C7H10N4O/c1-5(11-12)4-6-2-3-9-7(8)10-6/h2-3,12H,4H2,1H3,(H2,8,9,10)/b11-5+
InChIKeyKQLUJTBGSULDQS-VZUCSPMQSA-N
XLogP0.45
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[1-(2-aminopyrimidin-4-yl)propan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(2-aminopyrimidin-4-yl)propan-2-ylidene]hydroxylamine (CID 87327112) is (NE)-N-[1-(2-aminopyrimidin-4-yl)propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(2-aminopyrimidin-4-yl)propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(2-aminopyrimidin-4-yl)propan-2-ylidene]hydroxylamine is C/C(Cc1ccnc(N)n1)=N\O.
What is the InChIKey of (NE)-N-[1-(2-aminopyrimidin-4-yl)propan-2-ylidene]hydroxylamine?
The InChIKey is KQLUJTBGSULDQS-VZUCSPMQSA-N. The full InChI is InChI=1S/C7H10N4O/c1-5(11-12)4-6-2-3-9-7(8)10-6/h2-3,12H,4H2,1H3,(H2,8,9,10)/b11-5+.
What are the key properties of (NE)-N-[1-(2-aminopyrimidin-4-yl)propan-2-ylidene]hydroxylamine?
(NE)-N-[1-(2-aminopyrimidin-4-yl)propan-2-ylidene]hydroxylamine has a molecular weight of 166.18 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(2-aminopyrimidin-4-yl)propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 87327112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).