4-(dimethylamino)pyrimidine-5-carbaldehyde

C7H9N3O — CID 83872498

IUPAC4-(dimethylamino)pyrimidine-5-carbaldehyde
SMILESCN(C)c1ncncc1C=O
InChIInChI=1S/C7H9N3O/c1-10(2)7-6(4-11)3-8-5-9-7/h3-5H,1-2H3
InChIKeyJDFUNXJGWSHSQQ-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.36
Rot. Bonds2

About 4-(dimethylamino)pyrimidine-5-carbaldehyde

4-(dimethylamino)pyrimidine-5-carbaldehyde (PubChem CID 83872498) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 4-(dimethylamino)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-(dimethylamino)pyrimidine-5-carbaldehyde
PubChem CID83872498
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name4-(dimethylamino)pyrimidine-5-carbaldehyde
SMILESCN(C)c1ncncc1C=O
InChIInChI=1S/C7H9N3O/c1-10(2)7-6(4-11)3-8-5-9-7/h3-5H,1-2H3
InChIKeyJDFUNXJGWSHSQQ-UHFFFAOYSA-N
XLogP0.36
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(Morpholin-4-yl)pyrimidine-5-carbaldehyde
CID 3160978
4-Amino-5-pyrimidinecarboxamide
CID 818212
1-(Pyrimidin-5-yl)ethan-1-one
CID 572308
2-Aminopyrimidine-5-carbaldehyde
CID 769097
4-Amino-2-methylpyrimidine-5-carbaldehyde
CID 12904726
Pyrimidine-5-carboxaldehyde
CID 2761034
4-Aminopyrimidine-5-carbaldehyde
CID 11228787
Pyrimidine-5-carboxamide
CID 351819
2-(Dimethylamino)-5-pyrimidinecarbaldehyde
CID 795544
2-Methoxypyrimidine-5-carboxaldehyde
CID 3151866
4-Amino-2-propan-2-yloxypyrimidine-5-carboxamide
CID 70683674
4-Amino-2-(2-fluoroethoxy)pyrimidine-5-carboxamide
CID 70685822

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)pyrimidine-5-carbaldehyde?
The IUPAC name of 4-(dimethylamino)pyrimidine-5-carbaldehyde (CID 83872498) is 4-(dimethylamino)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-(dimethylamino)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-(dimethylamino)pyrimidine-5-carbaldehyde is CN(C)c1ncncc1C=O.
What is the InChIKey of 4-(dimethylamino)pyrimidine-5-carbaldehyde?
The InChIKey is JDFUNXJGWSHSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-10(2)7-6(4-11)3-8-5-9-7/h3-5H,1-2H3.
What are the key properties of 4-(dimethylamino)pyrimidine-5-carbaldehyde?
4-(dimethylamino)pyrimidine-5-carbaldehyde has a molecular weight of 151.17 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 83872498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).