2-(cyclopropylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide

C11H16N4O2 — CID 109295527

IUPAC2-(cyclopropylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1ccnc(NC2CC2)n1
InChIInChI=1S/C11H16N4O2/c1-17-7-6-12-10(16)9-4-5-13-11(15-9)14-8-2-3-8/h4-5,8H,2-3,6-7H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyFBWSYOAMVYVPNM-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.43
Rot. Bonds6

About 2-(cyclopropylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide

2-(cyclopropylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide (PubChem CID 109295527) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
PubChem CID109295527
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-(cyclopropylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1ccnc(NC2CC2)n1
InChIInChI=1S/C11H16N4O2/c1-17-7-6-12-10(16)9-4-5-13-11(15-9)14-8-2-3-8/h4-5,8H,2-3,6-7H2,1H3,(H,12,16)(H,13,14,15)
InChIKeyFBWSYOAMVYVPNM-UHFFFAOYSA-N
XLogP0.43
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4-carboxamide
CID 109295590
N-cyclopropyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109295724
N-cycloheptyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299667
2-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109295559
2-(butan-2-ylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109297087
N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299605
N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311427
N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298589
2-(4-bromoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109299902
N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109299972
2-(2,6-diethylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109299885
2-(2-methoxyethylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109299630

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide (CID 109295527) is 2-(cyclopropylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide is COCCNC(=O)c1ccnc(NC2CC2)n1.
What is the InChIKey of 2-(cyclopropylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide?
The InChIKey is FBWSYOAMVYVPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-17-7-6-12-10(16)9-4-5-13-11(15-9)14-8-2-3-8/h4-5,8H,2-3,6-7H2,1H3,(H,12,16)(H,13,14,15).
What are the key properties of 2-(cyclopropylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide?
2-(cyclopropylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109295527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).