N-[2-(ethylamino)ethyl]-4-methylpyrimidine-5-carboxamide;hydrochloride

C10H17ClN4O — CID 119507049

IUPACN-[2-(ethylamino)ethyl]-4-methylpyrimidine-5-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1cncnc1C.Cl
InChIInChI=1S/C10H16N4O.ClH/c1-3-11-4-5-13-10(15)9-6-12-7-14-8(9)2;/h6-7,11H,3-5H2,1-2H3,(H,13,15);1H
InChIKeyTTWONKALTINOJF-UHFFFAOYSA-N
MW244.73 g/mol
LogP0.55
Rot. Bonds5

About N-[2-(ethylamino)ethyl]-4-methylpyrimidine-5-carboxamide;hydrochloride

N-[2-(ethylamino)ethyl]-4-methylpyrimidine-5-carboxamide;hydrochloride (PubChem CID 119507049) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-4-methylpyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-4-methylpyrimidine-5-carboxamide;hydrochloride
PubChem CID119507049
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC NameN-[2-(ethylamino)ethyl]-4-methylpyrimidine-5-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1cncnc1C.Cl
InChIInChI=1S/C10H16N4O.ClH/c1-3-11-4-5-13-10(15)9-6-12-7-14-8(9)2;/h6-7,11H,3-5H2,1-2H3,(H,13,15);1H
InChIKeyTTWONKALTINOJF-UHFFFAOYSA-N
XLogP0.55
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-prop-2-ynylpyrimidine-5-carboxamide
CID 130718969
N-(cyanomethyl)-4-methylpyrimidine-5-carboxamide
CID 130662590
2-[2-[(4-methylpyrimidine-5-carbonyl)amino]ethylsulfanyl]acetic acid
CID 120526403
N-[2-(ethylamino)ethyl]-2,6-dimethylpyridine-3-carboxamide;dihydrochloride
CID 119508405
N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidine-5-carboxamide
CID 110852457
N-[2-(ethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 62657278
N-cyclopropyl-4-methylpyrimidine-5-carboxamide
CID 110848001
4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 110852055
N-[2-(ethylamino)ethyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119505425
2-acetyl-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119504668
(2R)-2-[(4-methylpyrimidine-5-carbonyl)amino]pentanoic acid
CID 125041047
3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 102810944

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-4-methylpyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-4-methylpyrimidine-5-carboxamide;hydrochloride (CID 119507049) is N-[2-(ethylamino)ethyl]-4-methylpyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-4-methylpyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-4-methylpyrimidine-5-carboxamide;hydrochloride is CCNCCNC(=O)c1cncnc1C.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-4-methylpyrimidine-5-carboxamide;hydrochloride?
The InChIKey is TTWONKALTINOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O.ClH/c1-3-11-4-5-13-10(15)9-6-12-7-14-8(9)2;/h6-7,11H,3-5H2,1-2H3,(H,13,15);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-4-methylpyrimidine-5-carboxamide;hydrochloride?
N-[2-(ethylamino)ethyl]-4-methylpyrimidine-5-carboxamide;hydrochloride has a molecular weight of 244.73 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-4-methylpyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 119507049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).