N-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide

C18H23N5O — CID 109247409

IUPACN-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
SMILESCCN(CC)c1ccc(Nc2ncc(C(=O)NC3CC3)cn2)cc1
InChIInChI=1S/C18H23N5O/c1-3-23(4-2)16-9-7-15(8-10-16)22-18-19-11-13(12-20-18)17(24)21-14-5-6-14/h7-12,14H,3-6H2,1-2H3,(H,21,24)(H,19,20,22)
InChIKeyQVAQNUIGMJRDHB-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.96
Rot. Bonds7

About N-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide

N-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide (PubChem CID 109247409) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
PubChem CID109247409
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
SMILESCCN(CC)c1ccc(Nc2ncc(C(=O)NC3CC3)cn2)cc1
InChIInChI=1S/C18H23N5O/c1-3-23(4-2)16-9-7-15(8-10-16)22-18-19-11-13(12-20-18)17(24)21-14-5-6-14/h7-12,14H,3-6H2,1-2H3,(H,21,24)(H,19,20,22)
InChIKeyQVAQNUIGMJRDHB-UHFFFAOYSA-N
XLogP2.96
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-4-carboxamide
CID 109295866
2-[4-(diethylamino)anilino]-N-(2-methoxyethyl)pyrimidine-5-carboxamide
CID 109251441
1-N-cyclopropyl-4-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109043408
N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109263102
N-(4-cyanophenyl)-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 109270313
[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249349
N-cyclopropyl-6-[4-(diethylamino)anilino]pyridazine-3-carboxamide
CID 109110139
N-cyclopropyl-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109247436
6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109151369
ethyl 4-[[2-(4-methylanilino)pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 109261809
N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109263097
4-[2-[4-(diethylamino)anilino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 109254421

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide?
The IUPAC name of N-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide (CID 109247409) is N-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide is CCN(CC)c1ccc(Nc2ncc(C(=O)NC3CC3)cn2)cc1.
What is the InChIKey of N-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide?
The InChIKey is QVAQNUIGMJRDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-3-23(4-2)16-9-7-15(8-10-16)22-18-19-11-13(12-20-18)17(24)21-14-5-6-14/h7-12,14H,3-6H2,1-2H3,(H,21,24)(H,19,20,22).
What are the key properties of N-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide?
N-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109247409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).