6-(nitrosomethyl)quinazoline-2,4-diamine

C9H9N5O — CID 172623336

IUPAC6-(nitrosomethyl)quinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(CN=O)ccc2n1
InChIInChI=1S/C9H9N5O/c10-8-6-3-5(4-12-15)1-2-7(6)13-9(11)14-8/h1-3H,4H2,(H4,10,11,13,14)
InChIKeyZAOMMBBKKHSLFP-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.06
Rot. Bonds2

About 6-(nitrosomethyl)quinazoline-2,4-diamine

6-(nitrosomethyl)quinazoline-2,4-diamine (PubChem CID 172623336) has the molecular formula C9H9N5O and a molecular weight of 203.20 g/mol. Its IUPAC name is 6-(nitrosomethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name6-(nitrosomethyl)quinazoline-2,4-diamine
PubChem CID172623336
Molecular FormulaC9H9N5O
Molecular Weight203.20 g/mol
Exact Mass203.08
IUPAC Name6-(nitrosomethyl)quinazoline-2,4-diamine
SMILESNc1nc(N)c2cc(CN=O)ccc2n1
InChIInChI=1S/C9H9N5O/c10-8-6-3-5(4-12-15)1-2-7(6)13-9(11)14-8/h1-3H,4H2,(H4,10,11,13,14)
InChIKeyZAOMMBBKKHSLFP-UHFFFAOYSA-N
XLogP1.06
TPSA107.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(phenylsulfanylmethyl)quinazoline-2,4-diamine
CID 10779267
N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide
CID 172623055
6-N,6-N-diethylquinazoline-2,4,6-triamine
CID 44531790
2,4-diaminoquinazoline-6-thiol
CID 91618965
3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide
CID 599695
6-(4-fluorophenyl)quinazoline-2,4-diamine
CID 24810151
(2,4-diaminoquinazolin-6-yl)methyl 2-benzylbenzoate
CID 3008595
6-[[(4-chloronaphthalen-1-yl)amino]methyl]quinazoline-2,4-diamine
CID 4039872
6-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-N-ethylquinazoline-2,4,6-triamine
CID 10252312
6-[[4-[(2,4-diaminoquinazolin-6-yl)iminomethyl]phenyl]methylideneamino]quinazoline-2,4-diamine
CID 600263
2,6-bis(chloromethyl)quinazolin-4-amine
CID 91333470
6-N-[(4-methoxyphenyl)methyl]quinazoline-2,4,6-triamine
CID 44533101

Frequently Asked Questions

What is the IUPAC name of 6-(nitrosomethyl)quinazoline-2,4-diamine?
The IUPAC name of 6-(nitrosomethyl)quinazoline-2,4-diamine (CID 172623336) is 6-(nitrosomethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 6-(nitrosomethyl)quinazoline-2,4-diamine?
The canonical SMILES for 6-(nitrosomethyl)quinazoline-2,4-diamine is Nc1nc(N)c2cc(CN=O)ccc2n1.
What is the InChIKey of 6-(nitrosomethyl)quinazoline-2,4-diamine?
The InChIKey is ZAOMMBBKKHSLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c10-8-6-3-5(4-12-15)1-2-7(6)13-9(11)14-8/h1-3H,4H2,(H4,10,11,13,14).
What are the key properties of 6-(nitrosomethyl)quinazoline-2,4-diamine?
6-(nitrosomethyl)quinazoline-2,4-diamine has a molecular weight of 203.20 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(nitrosomethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 172623336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).