N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methyl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine

C23H27N5O — CID 89355666

IUPACN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methyl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCc1nc(N/N=C/c2ccc(N(C)C)cc2)cc(-c2ccccc2OC(C)C)n1
InChIInChI=1S/C23H27N5O/c1-16(2)29-22-9-7-6-8-20(22)21-14-23(26-17(3)25-21)27-24-15-18-10-12-19(13-11-18)28(4)5/h6-16H,1-5H3,(H,25,26,27)/b24-15+
InChIKeyDBCJTEXMDOWGOX-BUVRLJJBSA-N
MW389.50 g/mol
LogP4.75
Rot. Bonds7

About N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methyl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methyl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine (PubChem CID 89355666) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methyl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methyl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
PubChem CID89355666
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methyl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCc1nc(N/N=C/c2ccc(N(C)C)cc2)cc(-c2ccccc2OC(C)C)n1
InChIInChI=1S/C23H27N5O/c1-16(2)29-22-9-7-6-8-20(22)21-14-23(26-17(3)25-21)27-24-15-18-10-12-19(13-11-18)28(4)5/h6-16H,1-5H3,(H,25,26,27)/b24-15+
InChIKeyDBCJTEXMDOWGOX-BUVRLJJBSA-N
XLogP4.75
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.75
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]-2-methyl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine?
The IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methyl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine (CID 89355666) is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methyl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methyl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine?
The canonical SMILES for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methyl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine is Cc1nc(N/N=C/c2ccc(N(C)C)cc2)cc(-c2ccccc2OC(C)C)n1.
What is the InChIKey of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methyl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine?
The InChIKey is DBCJTEXMDOWGOX-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H27N5O/c1-16(2)29-22-9-7-6-8-20(22)21-14-23(26-17(3)25-21)27-24-15-18-10-12-19(13-11-18)28(4)5/h6-16H,1-5H3,(H,25,26,27)/b24-15+.
What are the key properties of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methyl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine?
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methyl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine has a molecular weight of 389.50 g/mol, XLogP of 4.75, 7 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]-2-methyl-6-(2-propan-2-yloxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 89355666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).