2-(2-methoxyethylamino)-4-(3-methylphenyl)-N,N-bis(2-methylpropyl)pyrimidine-5-carboxamide;molecular hydrogen

C23H36N4O2 — CID 161470985

IUPAC2-(2-methoxyethylamino)-4-(3-methylphenyl)-N,N-bis(2-methylpropyl)pyrimidine-5-carboxamide;molecular hydrogen
SMILESCOCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2cccc(C)c2)n1.[H][H]
InChIInChI=1S/C23H34N4O2.H2/c1-16(2)14-27(15-17(3)4)22(28)20-13-25-23(24-10-11-29-6)26-21(20)19-9-7-8-18(5)12-19;/h7-9,12-13,16-17H,10-11,14-15H2,1-6H3,(H,24,25,26);1H
InChIKeyWDBQXBJSDKYRMJ-UHFFFAOYSA-N
MW400.57 g/mol
LogP4.51
Rot. Bonds10

About 2-(2-methoxyethylamino)-4-(3-methylphenyl)-N,N-bis(2-methylpropyl)pyrimidine-5-carboxamide;molecular hydrogen

2-(2-methoxyethylamino)-4-(3-methylphenyl)-N,N-bis(2-methylpropyl)pyrimidine-5-carboxamide;molecular hydrogen (PubChem CID 161470985) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-4-(3-methylphenyl)-N,N-bis(2-methylpropyl)pyrimidine-5-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-4-(3-methylphenyl)-N,N-bis(2-methylpropyl)pyrimidine-5-carboxamide;molecular hydrogen
PubChem CID161470985
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name2-(2-methoxyethylamino)-4-(3-methylphenyl)-N,N-bis(2-methylpropyl)pyrimidine-5-carboxamide;molecular hydrogen
SMILESCOCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2cccc(C)c2)n1.[H][H]
InChIInChI=1S/C23H34N4O2.H2/c1-16(2)14-27(15-17(3)4)22(28)20-13-25-23(24-10-11-29-6)26-21(20)19-9-7-8-18(5)12-19;/h7-9,12-13,16-17H,10-11,14-15H2,1-6H3,(H,24,25,26);1H
InChIKeyWDBQXBJSDKYRMJ-UHFFFAOYSA-N
XLogP4.51
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-4-(3-methylphenyl)-N,N-bis(2-methylpropyl)pyrimidine-5-carboxamide;molecular hydrogen?
The IUPAC name of 2-(2-methoxyethylamino)-4-(3-methylphenyl)-N,N-bis(2-methylpropyl)pyrimidine-5-carboxamide;molecular hydrogen (CID 161470985) is 2-(2-methoxyethylamino)-4-(3-methylphenyl)-N,N-bis(2-methylpropyl)pyrimidine-5-carboxamide;molecular hydrogen.
What is the SMILES notation for 2-(2-methoxyethylamino)-4-(3-methylphenyl)-N,N-bis(2-methylpropyl)pyrimidine-5-carboxamide;molecular hydrogen?
The canonical SMILES for 2-(2-methoxyethylamino)-4-(3-methylphenyl)-N,N-bis(2-methylpropyl)pyrimidine-5-carboxamide;molecular hydrogen is COCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2cccc(C)c2)n1.[H][H].
What is the InChIKey of 2-(2-methoxyethylamino)-4-(3-methylphenyl)-N,N-bis(2-methylpropyl)pyrimidine-5-carboxamide;molecular hydrogen?
The InChIKey is WDBQXBJSDKYRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2.H2/c1-16(2)14-27(15-17(3)4)22(28)20-13-25-23(24-10-11-29-6)26-21(20)19-9-7-8-18(5)12-19;/h7-9,12-13,16-17H,10-11,14-15H2,1-6H3,(H,24,25,26);1H.
What are the key properties of 2-(2-methoxyethylamino)-4-(3-methylphenyl)-N,N-bis(2-methylpropyl)pyrimidine-5-carboxamide;molecular hydrogen?
2-(2-methoxyethylamino)-4-(3-methylphenyl)-N,N-bis(2-methylpropyl)pyrimidine-5-carboxamide;molecular hydrogen has a molecular weight of 400.57 g/mol, XLogP of 4.51, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-4-(3-methylphenyl)-N,N-bis(2-methylpropyl)pyrimidine-5-carboxamide;molecular hydrogen is sourced from PubChem (CID 161470985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).