4-chloro-6-(pentylamino)pyrimidine-5-carbaldehyde

C10H14ClN3O — CID 66368178

IUPAC4-chloro-6-(pentylamino)pyrimidine-5-carbaldehyde
SMILESCCCCCNc1ncnc(Cl)c1C=O
InChIInChI=1S/C10H14ClN3O/c1-2-3-4-5-12-10-8(6-15)9(11)13-7-14-10/h6-7H,2-5H2,1H3,(H,12,13,14)
InChIKeyMPRLZGGZFXQBGI-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.54
Rot. Bonds6

About 4-chloro-6-(pentylamino)pyrimidine-5-carbaldehyde

4-chloro-6-(pentylamino)pyrimidine-5-carbaldehyde (PubChem CID 66368178) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-chloro-6-(pentylamino)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-(pentylamino)pyrimidine-5-carbaldehyde
PubChem CID66368178
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name4-chloro-6-(pentylamino)pyrimidine-5-carbaldehyde
SMILESCCCCCNc1ncnc(Cl)c1C=O
InChIInChI=1S/C10H14ClN3O/c1-2-3-4-5-12-10-8(6-15)9(11)13-7-14-10/h6-7H,2-5H2,1H3,(H,12,13,14)
InChIKeyMPRLZGGZFXQBGI-UHFFFAOYSA-N
XLogP2.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-[4-(dimethylamino)butylamino]pyrimidine-5-carbaldehyde
CID 66366743
4-chloro-6-[3-(dimethylamino)propylamino]pyrimidine-5-carbaldehyde
CID 66366320
4-chloro-6-(4-propan-2-yloxybutylamino)pyrimidine-5-carbaldehyde
CID 114137328
2-[(6-chloro-5-formylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 114175883
4-chloro-6-[(2-hydroxy-2-methylbutyl)amino]pyrimidine-5-carbaldehyde
CID 66367585
N-butyl-6-chloro-5-methylpyrimidin-4-amine
CID 63729913
N-butan-2-yl-3-[(6-chloro-5-formylpyrimidin-4-yl)amino]propanamide
CID 66369006
4-chloro-6-[2-(2-methylphenyl)ethylamino]pyrimidine-5-carbaldehyde
CID 79756018
3-[(6-chloro-5-formylpyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 113410948
4-[2-(azepan-1-yl)ethylamino]-6-chloropyrimidine-5-carbaldehyde
CID 106193990
4-chloro-6-[(4-hydroxy-2-methylbutyl)amino]pyrimidine-5-carbaldehyde
CID 66366550
4-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carbaldehyde
CID 66368177

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(pentylamino)pyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-(pentylamino)pyrimidine-5-carbaldehyde (CID 66368178) is 4-chloro-6-(pentylamino)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-(pentylamino)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-(pentylamino)pyrimidine-5-carbaldehyde is CCCCCNc1ncnc(Cl)c1C=O.
What is the InChIKey of 4-chloro-6-(pentylamino)pyrimidine-5-carbaldehyde?
The InChIKey is MPRLZGGZFXQBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-2-3-4-5-12-10-8(6-15)9(11)13-7-14-10/h6-7H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 4-chloro-6-(pentylamino)pyrimidine-5-carbaldehyde?
4-chloro-6-(pentylamino)pyrimidine-5-carbaldehyde has a molecular weight of 227.69 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(pentylamino)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 66368178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).