4-chloro-6-[2-(1H-imidazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde

C10H10ClN5O — CID 106195043

IUPAC4-chloro-6-[2-(1H-imidazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1NCCc1cnc[nH]1
InChIInChI=1S/C10H10ClN5O/c11-9-8(4-17)10(16-6-15-9)13-2-1-7-3-12-5-14-7/h3-6H,1-2H2,(H,12,14)(H,13,15,16)
InChIKeyJDKJHAZMLVIRGZ-UHFFFAOYSA-N
MW251.68 g/mol
LogP1.32
Rot. Bonds5

About 4-chloro-6-[2-(1H-imidazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde

4-chloro-6-[2-(1H-imidazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde (PubChem CID 106195043) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 4-chloro-6-[2-(1H-imidazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-[2-(1H-imidazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde
PubChem CID106195043
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name4-chloro-6-[2-(1H-imidazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde
SMILESO=Cc1c(Cl)ncnc1NCCc1cnc[nH]1
InChIInChI=1S/C10H10ClN5O/c11-9-8(4-17)10(16-6-15-9)13-2-1-7-3-12-5-14-7/h3-6H,1-2H2,(H,12,14)(H,13,15,16)
InChIKeyJDKJHAZMLVIRGZ-UHFFFAOYSA-N
XLogP1.32
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carbaldehyde
CID 79756018
4-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carbaldehyde
CID 66368177
4-chloro-6-[3-(dimethylamino)propylamino]pyrimidine-5-carbaldehyde
CID 66366320
4-chloro-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidine-5-carbaldehyde
CID 66366338
4-chloro-6-[4-(dimethylamino)butylamino]pyrimidine-5-carbaldehyde
CID 66366743
4-[2-(azepan-1-yl)ethylamino]-6-chloropyrimidine-5-carbaldehyde
CID 106193990
2-[(6-chloro-5-formylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 114175883
N-[2-(1H-imidazol-5-yl)ethyl]-6,7,8-trimethoxyquinazolin-4-amine
CID 18796736
4-chloro-6-(4-propan-2-yloxybutylamino)pyrimidine-5-carbaldehyde
CID 114137328
3-[(6-chloro-5-formylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 113410948
6-chloro-2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,3-diamine
CID 115474252
4-chloro-6-[(2-hydroxyphenyl)methylamino]pyrimidine-5-carbaldehyde
CID 106196551

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-(1H-imidazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-[2-(1H-imidazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde (CID 106195043) is 4-chloro-6-[2-(1H-imidazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-[2-(1H-imidazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-[2-(1H-imidazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde is O=Cc1c(Cl)ncnc1NCCc1cnc[nH]1.
What is the InChIKey of 4-chloro-6-[2-(1H-imidazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde?
The InChIKey is JDKJHAZMLVIRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c11-9-8(4-17)10(16-6-15-9)13-2-1-7-3-12-5-14-7/h3-6H,1-2H2,(H,12,14)(H,13,15,16).
What are the key properties of 4-chloro-6-[2-(1H-imidazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde?
4-chloro-6-[2-(1H-imidazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde has a molecular weight of 251.68 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-(1H-imidazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 106195043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).