N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-5-carboxamide

C12H21N5O2 — CID 109251488

IUPACN-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
SMILESCOCCNc1ncc(C(=O)NCCN(C)C)cn1
InChIInChI=1S/C12H21N5O2/c1-17(2)6-4-13-11(18)10-8-15-12(16-9-10)14-5-7-19-3/h8-9H,4-7H2,1-3H3,(H,13,18)(H,14,15,16)
InChIKeyVMGJWVFEPKHHTA-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.17
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-5-carboxamide

N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-5-carboxamide (PubChem CID 109251488) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
PubChem CID109251488
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
SMILESCOCCNc1ncc(C(=O)NCCN(C)C)cn1
InChIInChI=1S/C12H21N5O2/c1-17(2)6-4-13-11(18)10-8-15-12(16-9-10)14-5-7-19-3/h8-9H,4-7H2,1-3H3,(H,13,18)(H,14,15,16)
InChIKeyVMGJWVFEPKHHTA-UHFFFAOYSA-N
XLogP-0.17
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-5-carboxamide
CID 109252732
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109252856
N-butyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109248053
N-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109251301
2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252682
N-[2-(dimethylamino)ethyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109252692
2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide
CID 109246483
N-[2-(dimethylamino)ethyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109227823
N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299605
2-(2-methoxyethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109251519
N-butan-2-yl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide
CID 109248829
2-(diethylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252730

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-5-carboxamide (CID 109251488) is N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-5-carboxamide is COCCNc1ncc(C(=O)NCCN(C)C)cn1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-5-carboxamide?
The InChIKey is VMGJWVFEPKHHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-17(2)6-4-13-11(18)10-8-15-12(16-9-10)14-5-7-19-3/h8-9H,4-7H2,1-3H3,(H,13,18)(H,14,15,16).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-5-carboxamide?
N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-5-carboxamide has a molecular weight of 267.33 g/mol, XLogP of -0.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109251488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).