N-cyclopropyl-6-ethyl-5-fluoro-N-(oxolan-3-ylmethyl)pyrimidin-4-amine

C14H20FN3O — CID 75508624

IUPACN-cyclopropyl-6-ethyl-5-fluoro-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
SMILESCCc1ncnc(N(CC2CCOC2)C2CC2)c1F
InChIInChI=1S/C14H20FN3O/c1-2-12-13(15)14(17-9-16-12)18(11-3-4-11)7-10-5-6-19-8-10/h9-11H,2-8H2,1H3
InChIKeyVISACBZCAGSBFA-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.18
Rot. Bonds5

About N-cyclopropyl-6-ethyl-5-fluoro-N-(oxolan-3-ylmethyl)pyrimidin-4-amine

N-cyclopropyl-6-ethyl-5-fluoro-N-(oxolan-3-ylmethyl)pyrimidin-4-amine (PubChem CID 75508624) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is N-cyclopropyl-6-ethyl-5-fluoro-N-(oxolan-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-ethyl-5-fluoro-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
PubChem CID75508624
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC NameN-cyclopropyl-6-ethyl-5-fluoro-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
SMILESCCc1ncnc(N(CC2CCOC2)C2CC2)c1F
InChIInChI=1S/C14H20FN3O/c1-2-12-13(15)14(17-9-16-12)18(11-3-4-11)7-10-5-6-19-8-10/h9-11H,2-8H2,1H3
InChIKeyVISACBZCAGSBFA-UHFFFAOYSA-N
XLogP2.18
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-ethyl-5-fluoro-N-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-ethyl-5-fluoro-N-(oxolan-3-ylmethyl)pyrimidin-4-amine (CID 75508624) is N-cyclopropyl-6-ethyl-5-fluoro-N-(oxolan-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-ethyl-5-fluoro-N-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-ethyl-5-fluoro-N-(oxolan-3-ylmethyl)pyrimidin-4-amine is CCc1ncnc(N(CC2CCOC2)C2CC2)c1F.
What is the InChIKey of N-cyclopropyl-6-ethyl-5-fluoro-N-(oxolan-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is VISACBZCAGSBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-2-12-13(15)14(17-9-16-12)18(11-3-4-11)7-10-5-6-19-8-10/h9-11H,2-8H2,1H3.
What are the key properties of N-cyclopropyl-6-ethyl-5-fluoro-N-(oxolan-3-ylmethyl)pyrimidin-4-amine?
N-cyclopropyl-6-ethyl-5-fluoro-N-(oxolan-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 265.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-ethyl-5-fluoro-N-(oxolan-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 75508624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).