N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methoxypyrimidin-4-amine

C14H17N5O — CID 5338835

IUPACN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(N/N=C/c2ccc(N(C)C)cc2)ncn1
InChIInChI=1S/C14H17N5O/c1-19(2)12-6-4-11(5-7-12)9-17-18-13-8-14(20-3)16-10-15-13/h4-10H,1-3H3,(H,15,16,18)/b17-9+
InChIKeyXGGNUGRXIMDYEI-RQZCQDPDSA-N
MW271.32 g/mol
LogP2.00
Rot. Bonds5

About N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methoxypyrimidin-4-amine

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methoxypyrimidin-4-amine (PubChem CID 5338835) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methoxypyrimidin-4-amine
PubChem CID5338835
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(N/N=C/c2ccc(N(C)C)cc2)ncn1
InChIInChI=1S/C14H17N5O/c1-19(2)12-6-4-11(5-7-12)9-17-18-13-8-14(20-3)16-10-15-13/h4-10H,1-3H3,(H,15,16,18)/b17-9+
InChIKeyXGGNUGRXIMDYEI-RQZCQDPDSA-N
XLogP2.00
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil_di_alk(35)', 'substructure': 'N/A'}, {'alert_name': 'imine_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 N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methoxypyrimidin-4-amine (CID 5338835) is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methoxypyrimidin-4-amine is COc1cc(N/N=C/c2ccc(N(C)C)cc2)ncn1.
What is the InChIKey of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methoxypyrimidin-4-amine?
The InChIKey is XGGNUGRXIMDYEI-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H17N5O/c1-19(2)12-6-4-11(5-7-12)9-17-18-13-8-14(20-3)16-10-15-13/h4-10H,1-3H3,(H,15,16,18)/b17-9+.
What are the key properties of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methoxypyrimidin-4-amine?
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methoxypyrimidin-4-amine has a molecular weight of 271.32 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 5338835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).