2-cyclopropyl-6-(dimethylamino)pyrimidine-4-carbaldehyde

C10H13N3O — CID 83877778

IUPAC2-cyclopropyl-6-(dimethylamino)pyrimidine-4-carbaldehyde
SMILESCN(C)c1cc(C=O)nc(C2CC2)n1
InChIInChI=1S/C10H13N3O/c1-13(2)9-5-8(6-14)11-10(12-9)7-3-4-7/h5-7H,3-4H2,1-2H3
InChIKeyKITHBGWSGUFAAN-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.23
Rot. Bonds3

About 2-cyclopropyl-6-(dimethylamino)pyrimidine-4-carbaldehyde

2-cyclopropyl-6-(dimethylamino)pyrimidine-4-carbaldehyde (PubChem CID 83877778) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-cyclopropyl-6-(dimethylamino)pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-cyclopropyl-6-(dimethylamino)pyrimidine-4-carbaldehyde
PubChem CID83877778
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-cyclopropyl-6-(dimethylamino)pyrimidine-4-carbaldehyde
SMILESCN(C)c1cc(C=O)nc(C2CC2)n1
InChIInChI=1S/C10H13N3O/c1-13(2)9-5-8(6-14)11-10(12-9)7-3-4-7/h5-7H,3-4H2,1-2H3
InChIKeyKITHBGWSGUFAAN-UHFFFAOYSA-N
XLogP1.23
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.23
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

6-(dimethylamino)-2-ethylpyrimidine-4-carbaldehyde
CID 83875123
2-cyclopropyl-4-N,4-N-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80955746
6-cyclopropyl-1,3,5-triazine-2,4-dicarbaldehyde
CID 174762144
2-cyclopropyl-4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80956522
2-cyclopentylpyrimidine-4-carbaldehyde
CID 62749496
N-[(1S)-2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-phenylethyl]propanamide
CID 92585527
2-chloro-6-(dimethylamino)pyridine-4-carbaldehyde
CID 115016813
6-chloro-2-cyclopropyl-N-(cyclopropylmethyl)-N-methylpyrimidin-4-amine
CID 80953708
2-cyclopropyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80959909
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]acetamide
CID 80954139
6-methyl-2-(oxolan-2-yl)pyrimidine-4-carbaldehyde
CID 65328561
2-cyclopropyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80967434

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(dimethylamino)pyrimidine-4-carbaldehyde?
The IUPAC name of 2-cyclopropyl-6-(dimethylamino)pyrimidine-4-carbaldehyde (CID 83877778) is 2-cyclopropyl-6-(dimethylamino)pyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-cyclopropyl-6-(dimethylamino)pyrimidine-4-carbaldehyde?
The canonical SMILES for 2-cyclopropyl-6-(dimethylamino)pyrimidine-4-carbaldehyde is CN(C)c1cc(C=O)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(dimethylamino)pyrimidine-4-carbaldehyde?
The InChIKey is KITHBGWSGUFAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-13(2)9-5-8(6-14)11-10(12-9)7-3-4-7/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-cyclopropyl-6-(dimethylamino)pyrimidine-4-carbaldehyde?
2-cyclopropyl-6-(dimethylamino)pyrimidine-4-carbaldehyde has a molecular weight of 191.23 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(dimethylamino)pyrimidine-4-carbaldehyde is sourced from PubChem (CID 83877778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).