2-(dimethylamino)-4-methyl-N-[2-(methylamino)ethyl]pyrimidine-5-carboxamide;hydrochloride

C11H20ClN5O — CID 154884970

IUPAC2-(dimethylamino)-4-methyl-N-[2-(methylamino)ethyl]pyrimidine-5-carboxamide;hydrochloride
SMILESCNCCNC(=O)c1cnc(N(C)C)nc1C.Cl
InChIInChI=1S/C11H19N5O.ClH/c1-8-9(10(17)13-6-5-12-2)7-14-11(15-8)16(3)4;/h7,12H,5-6H2,1-4H3,(H,13,17);1H
InChIKeyLZKVUZXXPRMFFV-UHFFFAOYSA-N
MW273.77 g/mol
LogP0.22
Rot. Bonds5

About 2-(dimethylamino)-4-methyl-N-[2-(methylamino)ethyl]pyrimidine-5-carboxamide;hydrochloride

2-(dimethylamino)-4-methyl-N-[2-(methylamino)ethyl]pyrimidine-5-carboxamide;hydrochloride (PubChem CID 154884970) has the molecular formula C11H20ClN5O and a molecular weight of 273.77 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methyl-N-[2-(methylamino)ethyl]pyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)-4-methyl-N-[2-(methylamino)ethyl]pyrimidine-5-carboxamide;hydrochloride
PubChem CID154884970
Molecular FormulaC11H20ClN5O
Molecular Weight273.77 g/mol
Exact Mass273.14
IUPAC Name2-(dimethylamino)-4-methyl-N-[2-(methylamino)ethyl]pyrimidine-5-carboxamide;hydrochloride
SMILESCNCCNC(=O)c1cnc(N(C)C)nc1C.Cl
InChIInChI=1S/C11H19N5O.ClH/c1-8-9(10(17)13-6-5-12-2)7-14-11(15-8)16(3)4;/h7,12H,5-6H2,1-4H3,(H,13,17);1H
InChIKeyLZKVUZXXPRMFFV-UHFFFAOYSA-N
XLogP0.22
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 50.22
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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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-methyl-N-[2-(methylamino)ethyl]pyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of 2-(dimethylamino)-4-methyl-N-[2-(methylamino)ethyl]pyrimidine-5-carboxamide;hydrochloride (CID 154884970) is 2-(dimethylamino)-4-methyl-N-[2-(methylamino)ethyl]pyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)-4-methyl-N-[2-(methylamino)ethyl]pyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for 2-(dimethylamino)-4-methyl-N-[2-(methylamino)ethyl]pyrimidine-5-carboxamide;hydrochloride is CNCCNC(=O)c1cnc(N(C)C)nc1C.Cl.
What is the InChIKey of 2-(dimethylamino)-4-methyl-N-[2-(methylamino)ethyl]pyrimidine-5-carboxamide;hydrochloride?
The InChIKey is LZKVUZXXPRMFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O.ClH/c1-8-9(10(17)13-6-5-12-2)7-14-11(15-8)16(3)4;/h7,12H,5-6H2,1-4H3,(H,13,17);1H.
What are the key properties of 2-(dimethylamino)-4-methyl-N-[2-(methylamino)ethyl]pyrimidine-5-carboxamide;hydrochloride?
2-(dimethylamino)-4-methyl-N-[2-(methylamino)ethyl]pyrimidine-5-carboxamide;hydrochloride has a molecular weight of 273.77 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-methyl-N-[2-(methylamino)ethyl]pyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 154884970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).