N-[(dimethylamino)methyl]-4,6-dimethoxypyrimidine-5-carboxamide

C10H16N4O3 — CID 122667204

IUPACN-[(dimethylamino)methyl]-4,6-dimethoxypyrimidine-5-carboxamide
SMILESCOc1ncnc(OC)c1C(=O)NCN(C)C
InChIInChI=1S/C10H16N4O3/c1-14(2)6-13-8(15)7-9(16-3)11-5-12-10(7)17-4/h5H,6H2,1-4H3,(H,13,15)
InChIKeyWWKPKSFJHDQQFK-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.26
Rot. Bonds5

About N-[(dimethylamino)methyl]-4,6-dimethoxypyrimidine-5-carboxamide

N-[(dimethylamino)methyl]-4,6-dimethoxypyrimidine-5-carboxamide (PubChem CID 122667204) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-[(dimethylamino)methyl]-4,6-dimethoxypyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(dimethylamino)methyl]-4,6-dimethoxypyrimidine-5-carboxamide
PubChem CID122667204
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC NameN-[(dimethylamino)methyl]-4,6-dimethoxypyrimidine-5-carboxamide
SMILESCOc1ncnc(OC)c1C(=O)NCN(C)C
InChIInChI=1S/C10H16N4O3/c1-14(2)6-13-8(15)7-9(16-3)11-5-12-10(7)17-4/h5H,6H2,1-4H3,(H,13,15)
InChIKeyWWKPKSFJHDQQFK-UHFFFAOYSA-N
XLogP-0.26
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(dimethylamino)methyl]-4,6-dimethoxypyrimidine-5-carboxamide?
The IUPAC name of N-[(dimethylamino)methyl]-4,6-dimethoxypyrimidine-5-carboxamide (CID 122667204) is N-[(dimethylamino)methyl]-4,6-dimethoxypyrimidine-5-carboxamide.
What is the SMILES notation for N-[(dimethylamino)methyl]-4,6-dimethoxypyrimidine-5-carboxamide?
The canonical SMILES for N-[(dimethylamino)methyl]-4,6-dimethoxypyrimidine-5-carboxamide is COc1ncnc(OC)c1C(=O)NCN(C)C.
What is the InChIKey of N-[(dimethylamino)methyl]-4,6-dimethoxypyrimidine-5-carboxamide?
The InChIKey is WWKPKSFJHDQQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-14(2)6-13-8(15)7-9(16-3)11-5-12-10(7)17-4/h5H,6H2,1-4H3,(H,13,15).
What are the key properties of N-[(dimethylamino)methyl]-4,6-dimethoxypyrimidine-5-carboxamide?
N-[(dimethylamino)methyl]-4,6-dimethoxypyrimidine-5-carboxamide has a molecular weight of 240.26 g/mol, XLogP of -0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(dimethylamino)methyl]-4,6-dimethoxypyrimidine-5-carboxamide is sourced from PubChem (CID 122667204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).