2-[cyclopentyl(2-methylpropyl)amino]pyrimidine-5-carbaldehyde

C14H21N3O — CID 113387676

IUPAC2-[cyclopentyl(2-methylpropyl)amino]pyrimidine-5-carbaldehyde
SMILESCC(C)CN(c1ncc(C=O)cn1)C1CCCC1
InChIInChI=1S/C14H21N3O/c1-11(2)9-17(13-5-3-4-6-13)14-15-7-12(10-18)8-16-14/h7-8,10-11,13H,3-6,9H2,1-2H3
InChIKeyLYRBLFBUNZFERS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.69
Rot. Bonds5

About 2-[cyclopentyl(2-methylpropyl)amino]pyrimidine-5-carbaldehyde

2-[cyclopentyl(2-methylpropyl)amino]pyrimidine-5-carbaldehyde (PubChem CID 113387676) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[cyclopentyl(2-methylpropyl)amino]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-[cyclopentyl(2-methylpropyl)amino]pyrimidine-5-carbaldehyde
PubChem CID113387676
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[cyclopentyl(2-methylpropyl)amino]pyrimidine-5-carbaldehyde
SMILESCC(C)CN(c1ncc(C=O)cn1)C1CCCC1
InChIInChI=1S/C14H21N3O/c1-11(2)9-17(13-5-3-4-6-13)14-15-7-12(10-18)8-16-14/h7-8,10-11,13H,3-6,9H2,1-2H3
InChIKeyLYRBLFBUNZFERS-UHFFFAOYSA-N
XLogP2.69
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.69
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

5-(bromomethyl)-N-cyclopentyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 107084638
N-cyclopentyl-5-(methylaminomethyl)-N-(2-methylpropyl)pyrazin-2-amine
CID 107380576
5-bromo-4-N-cyclopentyl-4-N-(2-methylpropyl)pyridine-3,4-diamine
CID 103518318
6-(aminomethyl)-N-cyclopentyl-N-(2-methylpropyl)pyridin-3-amine
CID 113320429
5-(aminomethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 83185973
5-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 83184931
4-(aminomethyl)-N-cyclopentyl-6-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 107542143
3-chloro-4-[cyclopropyl(2-methylpropyl)amino]benzaldehyde
CID 81145699
4-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244045
3-bromo-5-chloro-N-cyclopentyl-N-(2-methylpropyl)pyridin-2-amine
CID 114837268
N-cyclopentyl-6-fluoro-N-(2-methylpropyl)pyrimidin-4-amine
CID 115417192
N-cyclopentyl-5-(ethylaminomethyl)-3-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 80638803

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(2-methylpropyl)amino]pyrimidine-5-carbaldehyde?
The IUPAC name of 2-[cyclopentyl(2-methylpropyl)amino]pyrimidine-5-carbaldehyde (CID 113387676) is 2-[cyclopentyl(2-methylpropyl)amino]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-[cyclopentyl(2-methylpropyl)amino]pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-[cyclopentyl(2-methylpropyl)amino]pyrimidine-5-carbaldehyde is CC(C)CN(c1ncc(C=O)cn1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(2-methylpropyl)amino]pyrimidine-5-carbaldehyde?
The InChIKey is LYRBLFBUNZFERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(2)9-17(13-5-3-4-6-13)14-15-7-12(10-18)8-16-14/h7-8,10-11,13H,3-6,9H2,1-2H3.
What are the key properties of 2-[cyclopentyl(2-methylpropyl)amino]pyrimidine-5-carbaldehyde?
2-[cyclopentyl(2-methylpropyl)amino]pyrimidine-5-carbaldehyde has a molecular weight of 247.34 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(2-methylpropyl)amino]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 113387676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).