6-cyclopropyl-N-ethyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine

C14H21N3O — CID 55188916

IUPAC6-cyclopropyl-N-ethyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
SMILESCCNc1cc(C2CC2)nc(CC2CCCO2)n1
InChIInChI=1S/C14H21N3O/c1-2-15-13-9-12(10-5-6-10)16-14(17-13)8-11-4-3-7-18-11/h9-11H,2-8H2,1H3,(H,15,16,17)
InChIKeyWKVZBUPDGFXDRE-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.51
Rot. Bonds5

About 6-cyclopropyl-N-ethyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine

6-cyclopropyl-N-ethyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine (PubChem CID 55188916) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 6-cyclopropyl-N-ethyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-ethyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
PubChem CID55188916
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name6-cyclopropyl-N-ethyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
SMILESCCNc1cc(C2CC2)nc(CC2CCCO2)n1
InChIInChI=1S/C14H21N3O/c1-2-15-13-9-12(10-5-6-10)16-14(17-13)8-11-4-3-7-18-11/h9-11H,2-8H2,1H3,(H,15,16,17)
InChIKeyWKVZBUPDGFXDRE-UHFFFAOYSA-N
XLogP2.51
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopropyl-N-methyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 63354065
6-cyclopentyl-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
CID 113390479
6-N,2-diethyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80934388
N-ethyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine
CID 65328938
6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine
CID 63354267
N,6-diethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 66301056
6-cyclopropyl-N-ethyl-2-pyrazin-2-ylpyrimidin-4-amine
CID 63354437
6-chloro-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80939617
2-chloro-N-(oxolan-2-ylmethyl)-6-propylpyrimidin-4-amine
CID 82460809
6-tert-butyl-N-ethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 66300985
6-cyclopropyl-2-N,2-N,4-N-triethylpyrimidine-2,4-diamine
CID 55188732
6-cyclopropyl-N-ethyl-2-(4-ethylcyclohexyl)pyrimidin-4-amine
CID 65389352

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-ethyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-ethyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine (CID 55188916) is 6-cyclopropyl-N-ethyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-ethyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-ethyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine is CCNc1cc(C2CC2)nc(CC2CCCO2)n1.
What is the InChIKey of 6-cyclopropyl-N-ethyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is WKVZBUPDGFXDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-15-13-9-12(10-5-6-10)16-14(17-13)8-11-4-3-7-18-11/h9-11H,2-8H2,1H3,(H,15,16,17).
What are the key properties of 6-cyclopropyl-N-ethyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine?
6-cyclopropyl-N-ethyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 247.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-ethyl-2-(oxolan-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 55188916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).