N-[6-[3-(aminomethyl)anilino]pyrimidin-4-yl]hydroxylamine

C11H13N5O — CID 174299502

IUPACN-[6-[3-(aminomethyl)anilino]pyrimidin-4-yl]hydroxylamine
SMILESNCc1cccc(Nc2cc(NO)ncn2)c1
InChIInChI=1S/C11H13N5O/c12-6-8-2-1-3-9(4-8)15-10-5-11(16-17)14-7-13-10/h1-5,7,17H,6,12H2,(H2,13,14,15,16)
InChIKeyLZWOTDMXDAJOBQ-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.48
Rot. Bonds4

About N-[6-[3-(aminomethyl)anilino]pyrimidin-4-yl]hydroxylamine

N-[6-[3-(aminomethyl)anilino]pyrimidin-4-yl]hydroxylamine (PubChem CID 174299502) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-[6-[3-(aminomethyl)anilino]pyrimidin-4-yl]hydroxylamine.

Molecular Properties

Compound NameN-[6-[3-(aminomethyl)anilino]pyrimidin-4-yl]hydroxylamine
PubChem CID174299502
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-[6-[3-(aminomethyl)anilino]pyrimidin-4-yl]hydroxylamine
SMILESNCc1cccc(Nc2cc(NO)ncn2)c1
InChIInChI=1S/C11H13N5O/c12-6-8-2-1-3-9(4-8)15-10-5-11(16-17)14-7-13-10/h1-5,7,17H,6,12H2,(H2,13,14,15,16)
InChIKeyLZWOTDMXDAJOBQ-UHFFFAOYSA-N
XLogP1.48
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-[3-(aminomethyl)phenyl]-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 174295030
3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline
CID 174680323
N-[3-(aminomethyl)phenyl]quinoxalin-2-amine
CID 63767788
4-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-4,6-diamine
CID 66670014
N-[3-(aminomethyl)phenyl]-2,6-dimethylpyrimidin-4-amine
CID 63767610
6-[3-(aminomethyl)anilino]pyridine-3-sulfonamide
CID 63767785
N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866710
N-[3-(chloromethyl)phenyl]-6-methoxypyrimidin-4-amine
CID 66318087
N-(3-bromophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80928582
N-[3-(aminomethyl)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 170875456
4-[2-[3-[[5-(aminomethyl)-2-pyridinyl]amino]phenyl]ethyl]quinazoline-8-carboxamide
CID 91490062
N-[3-(aminomethyl)phenyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102687355

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(aminomethyl)anilino]pyrimidin-4-yl]hydroxylamine?
The IUPAC name of N-[6-[3-(aminomethyl)anilino]pyrimidin-4-yl]hydroxylamine (CID 174299502) is N-[6-[3-(aminomethyl)anilino]pyrimidin-4-yl]hydroxylamine.
What is the SMILES notation for N-[6-[3-(aminomethyl)anilino]pyrimidin-4-yl]hydroxylamine?
The canonical SMILES for N-[6-[3-(aminomethyl)anilino]pyrimidin-4-yl]hydroxylamine is NCc1cccc(Nc2cc(NO)ncn2)c1.
What is the InChIKey of N-[6-[3-(aminomethyl)anilino]pyrimidin-4-yl]hydroxylamine?
The InChIKey is LZWOTDMXDAJOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c12-6-8-2-1-3-9(4-8)15-10-5-11(16-17)14-7-13-10/h1-5,7,17H,6,12H2,(H2,13,14,15,16).
What are the key properties of N-[6-[3-(aminomethyl)anilino]pyrimidin-4-yl]hydroxylamine?
N-[6-[3-(aminomethyl)anilino]pyrimidin-4-yl]hydroxylamine has a molecular weight of 231.26 g/mol, XLogP of 1.48, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(aminomethyl)anilino]pyrimidin-4-yl]hydroxylamine is sourced from PubChem (CID 174299502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).