N-cyclopropyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide

C11H16N4O2 — CID 109295724

IUPACN-cyclopropyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
SMILESCOCCNc1nccc(C(=O)NC2CC2)n1
InChIInChI=1S/C11H16N4O2/c1-17-7-6-13-11-12-5-4-9(15-11)10(16)14-8-2-3-8/h4-5,8H,2-3,6-7H2,1H3,(H,14,16)(H,12,13,15)
InChIKeyVUZRWRJCCOELHW-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.43
Rot. Bonds6

About N-cyclopropyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide

N-cyclopropyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide (PubChem CID 109295724) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
PubChem CID109295724
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-cyclopropyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
SMILESCOCCNc1nccc(C(=O)NC2CC2)n1
InChIInChI=1S/C11H16N4O2/c1-17-7-6-13-11-12-5-4-9(15-11)10(16)14-8-2-3-8/h4-5,8H,2-3,6-7H2,1H3,(H,14,16)(H,12,13,15)
InChIKeyVUZRWRJCCOELHW-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

N-cycloheptyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299667
N-cyclopropyl-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109295787
2-(cyclopropylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109295527
N-cyclopropyl-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109295728
N-cyclopentyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109294728
N-cyclopropyl-2-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109295730
N-cyclopentyl-2-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109298072
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
N-cyclopropyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109295735
N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109299972

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide (CID 109295724) is N-cyclopropyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide is COCCNc1nccc(C(=O)NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide?
The InChIKey is VUZRWRJCCOELHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-17-7-6-13-11-12-5-4-9(15-11)10(16)14-8-2-3-8/h4-5,8H,2-3,6-7H2,1H3,(H,14,16)(H,12,13,15).
What are the key properties of N-cyclopropyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide?
N-cyclopropyl-2-(2-methoxyethylamino)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 N-cyclopropyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109295724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).