2-amino-4-[benzyl(ethyl)amino]-6-chloropyrimidine-5-carbaldehyde

C14H15ClN4O — CID 102389135

IUPAC2-amino-4-[benzyl(ethyl)amino]-6-chloropyrimidine-5-carbaldehyde
SMILESCCN(Cc1ccccc1)c1nc(N)nc(Cl)c1C=O
InChIInChI=1S/C14H15ClN4O/c1-2-19(8-10-6-4-3-5-7-10)13-11(9-20)12(15)17-14(16)18-13/h3-7,9H,2,8H2,1H3,(H2,16,17,18)
InChIKeyLSPCBGGLEHSPGG-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.55
Rot. Bonds5

About 2-amino-4-[benzyl(ethyl)amino]-6-chloropyrimidine-5-carbaldehyde

2-amino-4-[benzyl(ethyl)amino]-6-chloropyrimidine-5-carbaldehyde (PubChem CID 102389135) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-amino-4-[benzyl(ethyl)amino]-6-chloropyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-amino-4-[benzyl(ethyl)amino]-6-chloropyrimidine-5-carbaldehyde
PubChem CID102389135
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name2-amino-4-[benzyl(ethyl)amino]-6-chloropyrimidine-5-carbaldehyde
SMILESCCN(Cc1ccccc1)c1nc(N)nc(Cl)c1C=O
InChIInChI=1S/C14H15ClN4O/c1-2-19(8-10-6-4-3-5-7-10)13-11(9-20)12(15)17-14(16)18-13/h3-7,9H,2,8H2,1H3,(H2,16,17,18)
InChIKeyLSPCBGGLEHSPGG-UHFFFAOYSA-N
XLogP2.55
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[benzyl(3-oxopropyl)amino]-6-chloro-2-methylsulfanylpyrimidine-5-carbaldehyde
CID 89026717
4-chloro-6-[ethyl(furan-2-ylmethyl)amino]-2-methylpyrimidine-5-carbaldehyde
CID 80731733
2-N-benzyl-2-N-ethyl-3-methylpyridine-2,5-diamine
CID 55080686
N-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114836690
N-benzyl-6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80973741
2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carbaldehyde
CID 55113031
2-N-benzyl-3-chloro-2-N-ethylbenzene-1,2-diamine
CID 28983511
4-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carbaldehyde
CID 66334837
4-(dibenzylamino)-2,6-dimethylbenzaldehyde
CID 86163610
6-N-[[4-(benzenesulfonyl)phenyl]methyl]-6-N-ethylquinazoline-2,4,6-triamine
CID 10252312
3-(aminomethyl)-N-benzyl-N-ethyl-4,6-dimethylpyridin-2-amine
CID 61175356
2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine
CID 79532190

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[benzyl(ethyl)amino]-6-chloropyrimidine-5-carbaldehyde?
The IUPAC name of 2-amino-4-[benzyl(ethyl)amino]-6-chloropyrimidine-5-carbaldehyde (CID 102389135) is 2-amino-4-[benzyl(ethyl)amino]-6-chloropyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-amino-4-[benzyl(ethyl)amino]-6-chloropyrimidine-5-carbaldehyde?
The canonical SMILES for 2-amino-4-[benzyl(ethyl)amino]-6-chloropyrimidine-5-carbaldehyde is CCN(Cc1ccccc1)c1nc(N)nc(Cl)c1C=O.
What is the InChIKey of 2-amino-4-[benzyl(ethyl)amino]-6-chloropyrimidine-5-carbaldehyde?
The InChIKey is LSPCBGGLEHSPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-2-19(8-10-6-4-3-5-7-10)13-11(9-20)12(15)17-14(16)18-13/h3-7,9H,2,8H2,1H3,(H2,16,17,18).
What are the key properties of 2-amino-4-[benzyl(ethyl)amino]-6-chloropyrimidine-5-carbaldehyde?
2-amino-4-[benzyl(ethyl)amino]-6-chloropyrimidine-5-carbaldehyde has a molecular weight of 290.75 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[benzyl(ethyl)amino]-6-chloropyrimidine-5-carbaldehyde is sourced from PubChem (CID 102389135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).