2-(2-methoxyethylamino)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide

C19H25N5O2 — CID 109323629

IUPAC2-(2-methoxyethylamino)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
SMILESCOCCNc1nc(C)cc(C(=O)Nc2ccc(N3CCCC3)cc2)n1
InChIInChI=1S/C19H25N5O2/c1-14-13-17(23-19(21-14)20-9-12-26-2)18(25)22-15-5-7-16(8-6-15)24-10-3-4-11-24/h5-8,13H,3-4,9-12H2,1-2H3,(H,22,25)(H,20,21,23)
InChIKeyCDWQDPYEKDVNHN-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.70
Rot. Bonds7

About 2-(2-methoxyethylamino)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide

2-(2-methoxyethylamino)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109323629) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109323629
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-(2-methoxyethylamino)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
SMILESCOCCNc1nc(C)cc(C(=O)Nc2ccc(N3CCCC3)cc2)n1
InChIInChI=1S/C19H25N5O2/c1-14-13-17(23-19(21-14)20-9-12-26-2)18(25)22-15-5-7-16(8-6-15)24-10-3-4-11-24/h5-8,13H,3-4,9-12H2,1-2H3,(H,22,25)(H,20,21,23)
InChIKeyCDWQDPYEKDVNHN-UHFFFAOYSA-N
XLogP2.70
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-(4-piperidin-1-ylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320184
6-methyl-2-(4-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109335106
6-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)pyrimidine-4-carboxamide
CID 109319017
N-(2,6-dichlorophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide
CID 109323658
2-(3-methoxypropylamino)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109300112
6-methyl-2-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109333156
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide
CID 109323620
N-(2-methoxyethyl)-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109323814
2-(2-fluoroanilino)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109336754
2-(2-methoxyethylamino)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidine-4-carboxamide
CID 109323649
2-N-(3-methoxypropyl)-6-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112912013
2-(2-methoxyethylamino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166955

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-methoxyethylamino)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide (CID 109323629) is 2-(2-methoxyethylamino)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-methoxyethylamino)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide is COCCNc1nc(C)cc(C(=O)Nc2ccc(N3CCCC3)cc2)n1.
What is the InChIKey of 2-(2-methoxyethylamino)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is CDWQDPYEKDVNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-13-17(23-19(21-14)20-9-12-26-2)18(25)22-15-5-7-16(8-6-15)24-10-3-4-11-24/h5-8,13H,3-4,9-12H2,1-2H3,(H,22,25)(H,20,21,23).
What are the key properties of 2-(2-methoxyethylamino)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide?
2-(2-methoxyethylamino)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109323629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).