N-(2-amino-2-oxoethyl)-5-chloro-N-ethyl-2-propan-2-ylpyrimidine-4-carboxamide

C12H17ClN4O2 — CID 103101766

IUPACN-(2-amino-2-oxoethyl)-5-chloro-N-ethyl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCN(CC(N)=O)C(=O)c1nc(C(C)C)ncc1Cl
InChIInChI=1S/C12H17ClN4O2/c1-4-17(6-9(14)18)12(19)10-8(13)5-15-11(16-10)7(2)3/h5,7H,4,6H2,1-3H3,(H2,14,18)
InChIKeyKVFQTDDSPHFWDG-UHFFFAOYSA-N
MW284.75 g/mol
LogP1.20
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-5-chloro-N-ethyl-2-propan-2-ylpyrimidine-4-carboxamide

N-(2-amino-2-oxoethyl)-5-chloro-N-ethyl-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 103101766) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-chloro-N-ethyl-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-chloro-N-ethyl-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID103101766
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC NameN-(2-amino-2-oxoethyl)-5-chloro-N-ethyl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCN(CC(N)=O)C(=O)c1nc(C(C)C)ncc1Cl
InChIInChI=1S/C12H17ClN4O2/c1-4-17(6-9(14)18)12(19)10-8(13)5-15-11(16-10)7(2)3/h5,7H,4,6H2,1-3H3,(H2,14,18)
InChIKeyKVFQTDDSPHFWDG-UHFFFAOYSA-N
XLogP1.20
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62015370
N-(1-aminopropan-2-yl)-5-chloro-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119581566
5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62014799
5-chloro-N-ethyl-N-phenyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62020747
3-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119190217
methyl 2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-propan-2-ylamino]acetate
CID 62016564
5-chloro-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 62016557
N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119382250
5-chloro-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 112754436
5-chloro-N-[2-[ethyl(propyl)amino]ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 103719266
N-ethyl-5-hydrazinyl-N-(2-hydroxyethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62237150
5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 102904944

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-chloro-N-ethyl-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-chloro-N-ethyl-2-propan-2-ylpyrimidine-4-carboxamide (CID 103101766) is N-(2-amino-2-oxoethyl)-5-chloro-N-ethyl-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-chloro-N-ethyl-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-chloro-N-ethyl-2-propan-2-ylpyrimidine-4-carboxamide is CCN(CC(N)=O)C(=O)c1nc(C(C)C)ncc1Cl.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-chloro-N-ethyl-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is KVFQTDDSPHFWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-4-17(6-9(14)18)12(19)10-8(13)5-15-11(16-10)7(2)3/h5,7H,4,6H2,1-3H3,(H2,14,18).
What are the key properties of N-(2-amino-2-oxoethyl)-5-chloro-N-ethyl-2-propan-2-ylpyrimidine-4-carboxamide?
N-(2-amino-2-oxoethyl)-5-chloro-N-ethyl-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 284.75 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-chloro-N-ethyl-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 103101766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).