N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride

C10H16Cl2N4O — CID 119382250

IUPACN-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
SMILESCC(C)c1ncc(Cl)c(C(=O)NCCN)n1.Cl
InChIInChI=1S/C10H15ClN4O.ClH/c1-6(2)9-14-5-7(11)8(15-9)10(16)13-4-3-12;/h5-6H,3-4,12H2,1-2H3,(H,13,16);1H
InChIKeyXLIWTZIPUUKBRZ-UHFFFAOYSA-N
MW279.17 g/mol
LogP1.36
Rot. Bonds4

About N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride

N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride (PubChem CID 119382250) has the molecular formula C10H16Cl2N4O and a molecular weight of 279.17 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
PubChem CID119382250
Molecular FormulaC10H16Cl2N4O
Molecular Weight279.17 g/mol
Exact Mass278.07
IUPAC NameN-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
SMILESCC(C)c1ncc(Cl)c(C(=O)NCCN)n1.Cl
InChIInChI=1S/C10H15ClN4O.ClH/c1-6(2)9-14-5-7(11)8(15-9)10(16)13-4-3-12;/h5-6H,3-4,12H2,1-2H3,(H,13,16);1H
InChIKeyXLIWTZIPUUKBRZ-UHFFFAOYSA-N
XLogP1.36
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(5-hydroxypentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107317162
5-chloro-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62020193
N-(1-amino-2-methylpropan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119521608
5-chloro-N-[2-[ethyl(propyl)amino]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 103719266
5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 102904944
5-chloro-N-[2-(cycloheptylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119619321
5-chloro-N-(2-cyclopentylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459372
5-chloro-N-[3-(cyclopropylamino)-3-oxopropyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 79376786
5-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 103744013
5-chloro-N-pentan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459112
5-chloro-N-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 47460243
5-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 103770528

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride (CID 119382250) is N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride is CC(C)c1ncc(Cl)c(C(=O)NCCN)n1.Cl.
What is the InChIKey of N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride?
The InChIKey is XLIWTZIPUUKBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O.ClH/c1-6(2)9-14-5-7(11)8(15-9)10(16)13-4-3-12;/h5-6H,3-4,12H2,1-2H3,(H,13,16);1H.
What are the key properties of N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride?
N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride has a molecular weight of 279.17 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119382250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).