2-cyclopropyl-4-(4-ethoxypiperidin-1-yl)pyrimidine

C14H21N3O — CID 133298308

IUPAC2-cyclopropyl-4-(4-ethoxypiperidin-1-yl)pyrimidine
SMILESCCOC1CCN(c2ccnc(C3CC3)n2)CC1
InChIInChI=1S/C14H21N3O/c1-2-18-12-6-9-17(10-7-12)13-5-8-15-14(16-13)11-3-4-11/h5,8,11-12H,2-4,6-7,9-10H2,1H3
InChIKeyHNYWEMWVFHENAC-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.36
Rot. Bonds4

About 2-cyclopropyl-4-(4-ethoxypiperidin-1-yl)pyrimidine

2-cyclopropyl-4-(4-ethoxypiperidin-1-yl)pyrimidine (PubChem CID 133298308) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-cyclopropyl-4-(4-ethoxypiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-(4-ethoxypiperidin-1-yl)pyrimidine
PubChem CID133298308
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-cyclopropyl-4-(4-ethoxypiperidin-1-yl)pyrimidine
SMILESCCOC1CCN(c2ccnc(C3CC3)n2)CC1
InChIInChI=1S/C14H21N3O/c1-2-18-12-6-9-17(10-7-12)13-5-8-15-14(16-13)11-3-4-11/h5,8,11-12H,2-4,6-7,9-10H2,1H3
InChIKeyHNYWEMWVFHENAC-UHFFFAOYSA-N
XLogP2.36
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethoxypiperidin-1-yl)pyrimidin-2-amine
CID 80798046
4-(azetidin-1-yl)-2-cyclopropylpyrimidine
CID 131087729
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888273
4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)pyridine
CID 61257242
2-cyclopropyl-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 155800048
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 133300182
2-cyclopropyl-4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine
CID 133339988
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163346286
tert-butyl N-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]carbamate
CID 133300314
5-bromo-2-(4-ethoxypiperidin-1-yl)pyridine
CID 61374151
6-(4-ethoxypiperidin-1-yl)pyridin-3-amine
CID 61220344
4-(2-cyclopropylpyrimidin-4-yl)-2,6-dimethylmorpholine
CID 171704070

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(4-ethoxypiperidin-1-yl)pyrimidine?
The IUPAC name of 2-cyclopropyl-4-(4-ethoxypiperidin-1-yl)pyrimidine (CID 133298308) is 2-cyclopropyl-4-(4-ethoxypiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-(4-ethoxypiperidin-1-yl)pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-(4-ethoxypiperidin-1-yl)pyrimidine is CCOC1CCN(c2ccnc(C3CC3)n2)CC1.
What is the InChIKey of 2-cyclopropyl-4-(4-ethoxypiperidin-1-yl)pyrimidine?
The InChIKey is HNYWEMWVFHENAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-18-12-6-9-17(10-7-12)13-5-8-15-14(16-13)11-3-4-11/h5,8,11-12H,2-4,6-7,9-10H2,1H3.
What are the key properties of 2-cyclopropyl-4-(4-ethoxypiperidin-1-yl)pyrimidine?
2-cyclopropyl-4-(4-ethoxypiperidin-1-yl)pyrimidine has a molecular weight of 247.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(4-ethoxypiperidin-1-yl)pyrimidine is sourced from PubChem (CID 133298308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).