N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide

C7H9ClN4O — CID 119382372

IUPACN-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide
SMILESNCCNC(=O)c1ncncc1Cl
InChIInChI=1S/C7H9ClN4O/c8-5-3-10-4-12-6(5)7(13)11-2-1-9/h3-4H,1-2,9H2,(H,11,13)
InChIKeyLTIQLZZPKRVFJF-UHFFFAOYSA-N
MW200.63 g/mol
LogP-0.18
Rot. Bonds3

About N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide

N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide (PubChem CID 119382372) has the molecular formula C7H9ClN4O and a molecular weight of 200.63 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide
PubChem CID119382372
Molecular FormulaC7H9ClN4O
Molecular Weight200.63 g/mol
Exact Mass200.05
IUPAC NameN-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide
SMILESNCCNC(=O)c1ncncc1Cl
InChIInChI=1S/C7H9ClN4O/c8-5-3-10-4-12-6(5)7(13)11-2-1-9/h3-4H,1-2,9H2,(H,11,13)
InChIKeyLTIQLZZPKRVFJF-UHFFFAOYSA-N
XLogP-0.18
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide;hydrochloride
CID 119382371
5-chloro-N-(2-cycloheptyloxyethyl)pyrimidine-4-carboxamide
CID 99775439
5-chloro-N-[(1-hydroxycyclopentyl)methyl]pyrimidine-4-carboxamide
CID 111825049
N-(2-aminoethyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119382250
5-chloro-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrimidine-4-carboxamide
CID 154807201
3-amino-N-(2-aminoethyl)-6-chloropyrazine-2-carboxamide
CID 129416054
5-chloro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide
CID 146128448
N-(2-aminoethyl)-5-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 19768719
N-(2-aminoethyl)-5-bromo-6-chloropyridine-3-carboxamide
CID 130550689
N-(2-aminoethyl)-4-chloro-1,3-thiazole-5-carboxamide
CID 130719830
N-(2-aminoethyl)-5-(2,5-dichlorophenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 19768541
N-[[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]methyl]-5-chloropyrimidine-4-carboxamide
CID 97221494

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide (CID 119382372) is N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide is NCCNC(=O)c1ncncc1Cl.
What is the InChIKey of N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide?
The InChIKey is LTIQLZZPKRVFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4O/c8-5-3-10-4-12-6(5)7(13)11-2-1-9/h3-4H,1-2,9H2,(H,11,13).
What are the key properties of N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide?
N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide has a molecular weight of 200.63 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide is sourced from PubChem (CID 119382372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).