4-[amino(methyl)amino]-2-methoxypyridine-3,5-diamine

C7H13N5O — CID 170964871

IUPAC4-[amino(methyl)amino]-2-methoxypyridine-3,5-diamine
SMILESCOc1ncc(N)c(N(C)N)c1N
InChIInChI=1S/C7H13N5O/c1-12(10)6-4(8)3-11-7(13-2)5(6)9/h3H,8-10H2,1-2H3
InChIKeyUBBAWBVMTNGQOM-UHFFFAOYSA-N
MW183.22 g/mol
LogP-0.44
Rot. Bonds2

About 4-[amino(methyl)amino]-2-methoxypyridine-3,5-diamine

4-[amino(methyl)amino]-2-methoxypyridine-3,5-diamine (PubChem CID 170964871) has the molecular formula C7H13N5O and a molecular weight of 183.22 g/mol. Its IUPAC name is 4-[amino(methyl)amino]-2-methoxypyridine-3,5-diamine.

Molecular Properties

Compound Name4-[amino(methyl)amino]-2-methoxypyridine-3,5-diamine
PubChem CID170964871
Molecular FormulaC7H13N5O
Molecular Weight183.22 g/mol
Exact Mass183.11
IUPAC Name4-[amino(methyl)amino]-2-methoxypyridine-3,5-diamine
SMILESCOc1ncc(N)c(N(C)N)c1N
InChIInChI=1S/C7H13N5O/c1-12(10)6-4(8)3-11-7(13-2)5(6)9/h3H,8-10H2,1-2H3
InChIKeyUBBAWBVMTNGQOM-UHFFFAOYSA-N
XLogP-0.44
TPSA103.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-6-methoxy-5-methylpyridin-3-amine
CID 172993259
5-bromo-4-[(E)-2-(dimethylamino)ethenyl]-2-methoxypyridin-3-amine;ethane
CID 142572671
6-fluoro-1-methoxyisoquinolin-4-amine
CID 84663819
3,6-dimethoxypyrazin-2-amine
CID 45122049
2-[amino(methyl)amino]-5-bromo-3-methoxyaniline
CID 144867461
4-methoxy-2-phenoxypyrimidin-5-amine
CID 153312423
4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)pyridin-3-amine
CID 130106020
5-(difluoromethyl)-3-iodo-2-methoxypyridin-4-amine
CID 118806527
3-(difluoromethyl)-2,5-dimethoxypyridin-4-amine
CID 130100785
5-(bromomethyl)-4-(difluoromethyl)-2-methoxypyridin-3-amine
CID 130105934
4-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde
CID 118817700
6-methoxy-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43260741

Frequently Asked Questions

What is the IUPAC name of 4-[amino(methyl)amino]-2-methoxypyridine-3,5-diamine?
The IUPAC name of 4-[amino(methyl)amino]-2-methoxypyridine-3,5-diamine (CID 170964871) is 4-[amino(methyl)amino]-2-methoxypyridine-3,5-diamine.
What is the SMILES notation for 4-[amino(methyl)amino]-2-methoxypyridine-3,5-diamine?
The canonical SMILES for 4-[amino(methyl)amino]-2-methoxypyridine-3,5-diamine is COc1ncc(N)c(N(C)N)c1N.
What is the InChIKey of 4-[amino(methyl)amino]-2-methoxypyridine-3,5-diamine?
The InChIKey is UBBAWBVMTNGQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-12(10)6-4(8)3-11-7(13-2)5(6)9/h3H,8-10H2,1-2H3.
What are the key properties of 4-[amino(methyl)amino]-2-methoxypyridine-3,5-diamine?
4-[amino(methyl)amino]-2-methoxypyridine-3,5-diamine has a molecular weight of 183.22 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(methyl)amino]-2-methoxypyridine-3,5-diamine is sourced from PubChem (CID 170964871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).