4-chloro-6-[2-hydroxyethyl(propyl)amino]pyrimidine-5-carbaldehyde

C10H14ClN3O2 — CID 66334833

IUPAC4-chloro-6-[2-hydroxyethyl(propyl)amino]pyrimidine-5-carbaldehyde
SMILESCCCN(CCO)c1ncnc(Cl)c1C=O
InChIInChI=1S/C10H14ClN3O2/c1-2-3-14(4-5-15)10-8(6-16)9(11)12-7-13-10/h6-7,15H,2-5H2,1H3
InChIKeyCQBIGUPLWJDGND-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.15
Rot. Bonds6

About 4-chloro-6-[2-hydroxyethyl(propyl)amino]pyrimidine-5-carbaldehyde

4-chloro-6-[2-hydroxyethyl(propyl)amino]pyrimidine-5-carbaldehyde (PubChem CID 66334833) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-chloro-6-[2-hydroxyethyl(propyl)amino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-[2-hydroxyethyl(propyl)amino]pyrimidine-5-carbaldehyde
PubChem CID66334833
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name4-chloro-6-[2-hydroxyethyl(propyl)amino]pyrimidine-5-carbaldehyde
SMILESCCCN(CCO)c1ncnc(Cl)c1C=O
InChIInChI=1S/C10H14ClN3O2/c1-2-3-14(4-5-15)10-8(6-16)9(11)12-7-13-10/h6-7,15H,2-5H2,1H3
InChIKeyCQBIGUPLWJDGND-UHFFFAOYSA-N
XLogP1.15
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.15
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-[bis(2-hydroxyethyl)amino]-6-chloropyrimidine-5-carbaldehyde
CID 66368184
4-chloro-6-(dipropylamino)pyrimidine-5-carbaldehyde
CID 66335905
4-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]pyrimidine-5-carbaldehyde
CID 104552441
4-chloro-6-[methyl(pentyl)amino]pyrimidine-5-carbaldehyde
CID 66334529
4-[butyl(cyclopropyl)amino]-6-chloropyrimidine-5-carbaldehyde
CID 66334983
2-[(6-chloro-5-nitropyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 13157472
2-[(6-chloro-5-formylpyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 66334990
4-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carbaldehyde
CID 66334837
4-chloro-6-[1-methoxypropan-2-yl(methyl)amino]pyrimidine-5-carbaldehyde
CID 66336656
2-[bis(2-hydroxyethyl)amino]-4-iodopyridine-3-carbaldehyde
CID 167921006
2-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(propyl)amino]ethanol
CID 62832633
4-chloro-6-[3-(dimethylamino)propylamino]pyrimidine-5-carbaldehyde
CID 66366320

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-hydroxyethyl(propyl)amino]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-[2-hydroxyethyl(propyl)amino]pyrimidine-5-carbaldehyde (CID 66334833) is 4-chloro-6-[2-hydroxyethyl(propyl)amino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-[2-hydroxyethyl(propyl)amino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-[2-hydroxyethyl(propyl)amino]pyrimidine-5-carbaldehyde is CCCN(CCO)c1ncnc(Cl)c1C=O.
What is the InChIKey of 4-chloro-6-[2-hydroxyethyl(propyl)amino]pyrimidine-5-carbaldehyde?
The InChIKey is CQBIGUPLWJDGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-2-3-14(4-5-15)10-8(6-16)9(11)12-7-13-10/h6-7,15H,2-5H2,1H3.
What are the key properties of 4-chloro-6-[2-hydroxyethyl(propyl)amino]pyrimidine-5-carbaldehyde?
4-chloro-6-[2-hydroxyethyl(propyl)amino]pyrimidine-5-carbaldehyde has a molecular weight of 243.69 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-hydroxyethyl(propyl)amino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 66334833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).